7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

C332H244N8 — CID 161479155

IUPAC7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESC(=Cc1c2ccccc2cc2ccccc12)c1ccc(N(c2ccc(C=Cc3c4ccccc4cc4ccccc34)cc2)c2ccc3c(c2)c2cccc4c2c3c2cccc3c5cc(N(c6ccc(C=Cc7c8ccccc8cc8ccccc78)cc6)c6ccc(C=Cc7c8ccccc8cc8ccccc78)cc6)ccc5c4c32)cc1.C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C=Cc5ccccc5)cc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(C=Cc6ccccc6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.CC1(C)c2cc(N(c3ccc(C=Cc4ccccc4)cc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc(C=Cc4ccccc4)cc2)c2ccc(C=Cc4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C114H72N2.C80H64N2.C70H56N2.C68H52N2/c1-9-27-91-77(19-1)67-78-20-2-10-28-92(78)99(91)61-47-73-39-51-85(52-40-73)115(86-53-41-74(42-54-86)48-62-100-93-29-11-3-21-79(93)68-80-22-4-12-30-94(80)100)89-59-65-105-109(71-89)103-35-17-37-107-111(103)113(105)108-38-18-36-104-110-72-90(60-66-106(110)114(107)112(104)108)116(87-55-43-75(44-56-87)49-63-101-95-31-13-5-23-81(95)69-82-24-6-14-32-96(82)101)88-57-45-76(46-58-88)50-64-102-97-33-15-7-25-83(97)70-84-26-8-16-34-98(84)102;1-79(2)75-53-69(81(65-41-33-61(34-42-65)29-25-57-17-9-5-10-18-57)66-43-35-62(36-44-66)30-26-58-19-11-6-12-20-58)49-51-71(75)73-56-78-74(55-77(73)79)72-52-50-70(54-76(72)80(78,3)4)82(67-45-37-63(38-46-67)31-27-59-21-13-7-14-22-59)68-47-39-64(40-48-68)32-28-60-23-15-8-16-24-60;1-69(2)65-45-53(33-41-61(65)63-43-39-59(47-67(63)69)71(55-21-13-7-14-22-55)57-35-29-51(30-36-57)27-25-49-17-9-5-10-18-49)54-34-42-62-64-44-40-60(48-68(64)70(3,4)66(62)46-54)72(56-23-15-8-16-24-56)58-37-31-52(32-38-58)28-26-50-19-11-6-12-20-50;1-5-13-53(14-6-1)21-25-57-29-41-63(42-30-57)69(64-43-31-58(32-44-64)26-22-54-15-7-2-8-16-54)67-49-37-61(38-50-67)62-39-51-68(52-40-62)70(65-45-33-59(34-46-65)27-23-55-17-9-3-10-18-55)66-47-35-60(36-48-66)28-24-56-19-11-4-12-20-56/h1-72H;5-56H,1-4H3;5-48H,1-4H3;1-52H
InChIKeyWECWEKNTUNHRQW-UHFFFAOYSA-N
MW4345.66 g/mol
LogP92.47
Rot. Bonds54

About 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 161479155) has the molecular formula C332H244N8 and a molecular weight of 4345.66 g/mol. Its IUPAC name is 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
PubChem CID161479155
Molecular FormulaC332H244N8
Molecular Weight4345.66 g/mol
Exact Mass4341.93
IUPAC Name7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESC(=Cc1c2ccccc2cc2ccccc12)c1ccc(N(c2ccc(C=Cc3c4ccccc4cc4ccccc34)cc2)c2ccc3c(c2)c2cccc4c2c3c2cccc3c5cc(N(c6ccc(C=Cc7c8ccccc8cc8ccccc78)cc6)c6ccc(C=Cc7c8ccccc8cc8ccccc78)cc6)ccc5c4c32)cc1.C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C=Cc5ccccc5)cc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(C=Cc6ccccc6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.CC1(C)c2cc(N(c3ccc(C=Cc4ccccc4)cc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc(C=Cc4ccccc4)cc2)c2ccc(C=Cc4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C114H72N2.C80H64N2.C70H56N2.C68H52N2/c1-9-27-91-77(19-1)67-78-20-2-10-28-92(78)99(91)61-47-73-39-51-85(52-40-73)115(86-53-41-74(42-54-86)48-62-100-93-29-11-3-21-79(93)68-80-22-4-12-30-94(80)100)89-59-65-105-109(71-89)103-35-17-37-107-111(103)113(105)108-38-18-36-104-110-72-90(60-66-106(110)114(107)112(104)108)116(87-55-43-75(44-56-87)49-63-101-95-31-13-5-23-81(95)69-82-24-6-14-32-96(82)101)88-57-45-76(46-58-88)50-64-102-97-33-15-7-25-83(97)70-84-26-8-16-34-98(84)102;1-79(2)75-53-69(81(65-41-33-61(34-42-65)29-25-57-17-9-5-10-18-57)66-43-35-62(36-44-66)30-26-58-19-11-6-12-20-58)49-51-71(75)73-56-78-74(55-77(73)79)72-52-50-70(54-76(72)80(78,3)4)82(67-45-37-63(38-46-67)31-27-59-21-13-7-14-22-59)68-47-39-64(40-48-68)32-28-60-23-15-8-16-24-60;1-69(2)65-45-53(33-41-61(65)63-43-39-59(47-67(63)69)71(55-21-13-7-14-22-55)57-35-29-51(30-36-57)27-25-49-17-9-5-10-18-49)54-34-42-62-64-44-40-60(48-68(64)70(3,4)66(62)46-54)72(56-23-15-8-16-24-56)58-37-31-52(32-38-58)28-26-50-19-11-6-12-20-50;1-5-13-53(14-6-1)21-25-57-29-41-63(42-30-57)69(64-43-31-58(32-44-64)26-22-54-15-7-2-8-16-54)67-49-37-61(38-50-67)62-39-51-68(52-40-62)70(65-45-33-59(34-46-65)27-23-55-17-9-3-10-18-55)66-47-35-60(36-48-66)28-24-56-19-11-4-12-20-56/h1-72H;5-56H,1-4H3;5-48H,1-4H3;1-52H
InChIKeyWECWEKNTUNHRQW-UHFFFAOYSA-N
XLogP92.47
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds54
Heavy Atoms340
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004345.66
LogP ≤ 592.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine with MolForge

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Related Compounds

9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine
CID 159741018
7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]-4-(2-phenylethyl)aniline;N-phenyl-N-[4-(2-phenylethenyl)phenyl]-4-[4-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 158292737
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-yl-3-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-(3-phenylphenyl)fluoren-2-amine
CID 59246481
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067263
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
9,9-dimethyl-2-N,7-N-di(phenanthren-9-yl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883905
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
10-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-N,10-N-diphenyl-2-N-(4-phenylphenyl)phenanthrene-2,10-diamine
CID 170410839

Frequently Asked Questions

What is the IUPAC name of 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (CID 161479155) is 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is C(=Cc1c2ccccc2cc2ccccc12)c1ccc(N(c2ccc(C=Cc3c4ccccc4cc4ccccc34)cc2)c2ccc3c(c2)c2cccc4c2c3c2cccc3c5cc(N(c6ccc(C=Cc7c8ccccc8cc8ccccc78)cc6)c6ccc(C=Cc7c8ccccc8cc8ccccc78)cc6)ccc5c4c32)cc1.C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(C=Cc5ccccc5)cc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(C=Cc6ccccc6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.CC1(C)c2cc(N(c3ccc(C=Cc4ccccc4)cc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc(C=Cc4ccccc4)cc2)c2ccc(C=Cc4ccccc4)cc2)cc1C3(C)C.
What is the InChIKey of 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is WECWEKNTUNHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H72N2.C80H64N2.C70H56N2.C68H52N2/c1-9-27-91-77(19-1)67-78-20-2-10-28-92(78)99(91)61-47-73-39-51-85(52-40-73)115(86-53-41-74(42-54-86)48-62-100-93-29-11-3-21-79(93)68-80-22-4-12-30-94(80)100)89-59-65-105-109(71-89)103-35-17-37-107-111(103)113(105)108-38-18-36-104-110-72-90(60-66-106(110)114(107)112(104)108)116(87-55-43-75(44-56-87)49-63-101-95-31-13-5-23-81(95)69-82-24-6-14-32-96(82)101)88-57-45-76(46-58-88)50-64-102-97-33-15-7-25-83(97)70-84-26-8-16-34-98(84)102;1-79(2)75-53-69(81(65-41-33-61(34-42-65)29-25-57-17-9-5-10-18-57)66-43-35-62(36-44-66)30-26-58-19-11-6-12-20-58)49-51-71(75)73-56-78-74(55-77(73)79)72-52-50-70(54-76(72)80(78,3)4)82(67-45-37-63(38-46-67)31-27-59-21-13-7-14-22-59)68-47-39-64(40-48-68)32-28-60-23-15-8-16-24-60;1-69(2)65-45-53(33-41-61(65)63-43-39-59(47-67(63)69)71(55-21-13-7-14-22-55)57-35-29-51(30-36-57)27-25-49-17-9-5-10-18-49)54-34-42-62-64-44-40-60(48-68(64)70(3,4)66(62)46-54)72(56-23-15-8-16-24-56)58-37-31-52(32-38-58)28-26-50-19-11-6-12-20-50;1-5-13-53(14-6-1)21-25-57-29-41-63(42-30-57)69(64-43-31-58(32-44-64)26-22-54-15-7-2-8-16-54)67-49-37-61(38-50-67)62-39-51-68(52-40-62)70(65-45-33-59(34-46-65)27-23-55-17-9-3-10-18-55)66-47-35-60(36-48-66)28-24-56-19-11-4-12-20-56/h1-72H;5-56H,1-4H3;5-48H,1-4H3;1-52H.
What are the key properties of 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 4345.66 g/mol, XLogP of 92.47, 54 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9,9-dimethyl-7-(N-[4-(2-phenylethenyl)phenyl]anilino)fluoren-2-yl]-9,9-dimethyl-N-phenyl-N-[4-(2-phenylethenyl)phenyl]fluoren-2-amine;4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]-N-[4-[4-[4-(2-phenylethenyl)-N-[4-(2-phenylethenyl)phenyl]anilino]phenyl]phenyl]aniline;5-N,5-N,12-N,12-N-tetrakis[4-(2-anthracen-9-ylethenyl)phenyl]rubicene-5,12-diamine;6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(2-phenylethenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 161479155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).