7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine

C219H194N6O2 — CID 161317422

IUPAC7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine
SMILESC=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(CCCC)cc6)c6ccc(CCCC)cc6)ccc4-5)cc32)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccc(C)cc5c5cc(-c6cc(OC)c(C)cc6OC)ccc54)ccc2-3)cc1.Cc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C82H62N2.C80H74N2.C57H58N2O2/c1-51-16-41-79-73(43-51)74-47-61(62-27-38-72-71-37-15-52(2)44-77(71)82(78(72)48-62,63-29-21-57-17-19-59(57)45-63)64-30-22-58-18-20-60(58)46-64)28-42-80(74)84(79)68-36-40-70-69-39-35-67(49-75(69)81(3,4)76(70)50-68)83(65-31-23-55(24-32-65)53-11-7-5-8-12-53)66-33-25-56(26-34-66)54-13-9-6-10-14-54;1-9-13-15-57-27-33-63(34-28-57)81(64-35-29-58(30-36-64)16-14-10-2)65-37-41-67-68-42-38-66(50-74(68)79(7,8)73(67)49-65)82-77-43-18-53(5)45-71(77)72-47-61(32-44-78(72)82)62-31-40-70-69-39-17-54(6)46-75(69)80(76(70)48-62,51-59-23-19-55(11-3)20-24-59)52-60-25-21-56(12-4)22-26-60;1-9-11-13-39-16-21-42(22-17-39)58(43-23-18-40(19-24-43)14-12-10-2)44-25-27-46-47-28-26-45(35-52(47)57(5,6)51(46)34-44)59-53-29-15-37(3)31-49(53)50-33-41(20-30-54(50)59)48-36-55(60-7)38(4)32-56(48)61-8/h5-16,21-50H,17-20H2,1-4H3;11-12,17-50H,3-4,9-10,13-16,51-52H2,1-2,5-8H3;15-36H,9-14H2,1-8H3
InChIKeyVJRKUBQGYMHUKO-UHFFFAOYSA-N
MW2942.00 g/mol
LogP57.85
Rot. Bonds39

About 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine

7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 161317422) has the molecular formula C219H194N6O2 and a molecular weight of 2942.00 g/mol. Its IUPAC name is 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID161317422
Molecular FormulaC219H194N6O2
Molecular Weight2942.00 g/mol
Exact Mass2939.53
IUPAC Name7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine
SMILESC=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(CCCC)cc6)c6ccc(CCCC)cc6)ccc4-5)cc32)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccc(C)cc5c5cc(-c6cc(OC)c(C)cc6OC)ccc54)ccc2-3)cc1.Cc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc3-4)ccc1-2
InChIInChI=1S/C82H62N2.C80H74N2.C57H58N2O2/c1-51-16-41-79-73(43-51)74-47-61(62-27-38-72-71-37-15-52(2)44-77(71)82(78(72)48-62,63-29-21-57-17-19-59(57)45-63)64-30-22-58-18-20-60(58)46-64)28-42-80(74)84(79)68-36-40-70-69-39-35-67(49-75(69)81(3,4)76(70)50-68)83(65-31-23-55(24-32-65)53-11-7-5-8-12-53)66-33-25-56(26-34-66)54-13-9-6-10-14-54;1-9-13-15-57-27-33-63(34-28-57)81(64-35-29-58(30-36-64)16-14-10-2)65-37-41-67-68-42-38-66(50-74(68)79(7,8)73(67)49-65)82-77-43-18-53(5)45-71(77)72-47-61(32-44-78(72)82)62-31-40-70-69-39-17-54(6)46-75(69)80(76(70)48-62,51-59-23-19-55(11-3)20-24-59)52-60-25-21-56(12-4)22-26-60;1-9-11-13-39-16-21-42(22-17-39)58(43-23-18-40(19-24-43)14-12-10-2)44-25-27-46-47-28-26-45(35-52(47)57(5,6)51(46)34-44)59-53-29-15-37(3)31-49(53)50-33-41(20-30-54(50)59)48-36-55(60-7)38(4)32-56(48)61-8/h5-16,21-50H,17-20H2,1-4H3;11-12,17-50H,3-4,9-10,13-16,51-52H2,1-2,5-8H3;15-36H,9-14H2,1-8H3
InChIKeyVJRKUBQGYMHUKO-UHFFFAOYSA-N
XLogP57.85
TPSA42.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds39
Heavy Atoms227
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002942.00
LogP ≤ 557.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690360
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-bis[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144690352
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
CID 121324360
7-carbazol-9-yl-9,9-bis[(4-ethenylphenyl)methyl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690386
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 144690387
2-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-N-(4-butylphenyl)-7-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dimethyl-2-N-(4-methylphenyl)fluorene-2,7-diamine;2-N-(4-butylphenyl)-2-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;2-N-(4-butylphenyl)-2-N-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 159329228
CID 159774241
CID 159774241
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine
CID 144690392
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 144690426
9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;3,6-dibutyl-9-[9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-6-(3,6-dibutylcarbazol-9-yl)carbazol-3-yl]carbazole;4-[4-[N-[4-(2,7-dimethyl-9-phenylfluoren-9-yl)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 160709397

Frequently Asked Questions

What is the IUPAC name of 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine (CID 161317422) is 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine is C=Cc1ccc(CC2(Cc3ccc(C=C)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)c4cc(C)ccc4n5-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(CCCC)cc6)c6ccc(CCCC)cc6)ccc4-5)cc32)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccc(C)cc5c5cc(-c6cc(OC)c(C)cc6OC)ccc54)ccc2-3)cc1.Cc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc3-4)ccc1-2.
What is the InChIKey of 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is VJRKUBQGYMHUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62N2.C80H74N2.C57H58N2O2/c1-51-16-41-79-73(43-51)74-47-61(62-27-38-72-71-37-15-52(2)44-77(71)82(78(72)48-62,63-29-21-57-17-19-59(57)45-63)64-30-22-58-18-20-60(58)46-64)28-42-80(74)84(79)68-36-40-70-69-39-35-67(49-75(69)81(3,4)76(70)50-68)83(65-31-23-55(24-32-65)53-11-7-5-8-12-53)66-33-25-56(26-34-66)54-13-9-6-10-14-54;1-9-13-15-57-27-33-63(34-28-57)81(64-35-29-58(30-36-64)16-14-10-2)65-37-41-67-68-42-38-66(50-74(68)79(7,8)73(67)49-65)82-77-43-18-53(5)45-71(77)72-47-61(32-44-78(72)82)62-31-40-70-69-39-17-54(6)46-75(69)80(76(70)48-62,51-59-23-19-55(11-3)20-24-59)52-60-25-21-56(12-4)22-26-60;1-9-11-13-39-16-21-42(22-17-39)58(43-23-18-40(19-24-43)14-12-10-2)44-25-27-46-47-28-26-45(35-52(47)57(5,6)51(46)34-44)59-53-29-15-37(3)31-49(53)50-33-41(20-30-54(50)59)48-36-55(60-7)38(4)32-56(48)61-8/h5-16,21-50H,17-20H2,1-4H3;11-12,17-50H,3-4,9-10,13-16,51-52H2,1-2,5-8H3;15-36H,9-14H2,1-8H3.
What are the key properties of 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine?
7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 2942.00 g/mol, XLogP of 57.85, 39 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N,N-bis(4-butylphenyl)-7-[3-(2,5-dimethoxy-4-methylphenyl)-6-methylcarbazol-9-yl]-9,9-dimethylfluoren-2-amine;7-[3-[9,9-bis[(4-ethenylphenyl)methyl]-7-methylfluoren-2-yl]-6-methylcarbazol-9-yl]-N,N-bis(4-butylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 161317422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).