6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine

C112H84N6 — CID 59801002

IUPAC6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2)c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2)cc1C3(C)C
InChIInChI=1S/C112H84N6/c1-111(2)103-73-93(113(85-53-61-89(62-54-85)115(81-37-9-5-10-38-81)107-49-25-33-77-29-17-21-45-95(77)107)86-55-63-90(64-56-86)116(82-39-11-6-12-40-82)108-50-26-34-78-30-18-22-46-96(78)108)69-71-99(103)101-76-106-102(75-105(101)111)100-72-70-94(74-104(100)112(106,3)4)114(87-57-65-91(66-58-87)117(83-41-13-7-14-42-83)109-51-27-35-79-31-19-23-47-97(79)109)88-59-67-92(68-60-88)118(84-43-15-8-16-44-84)110-52-28-36-80-32-20-24-48-98(80)110/h5-76H,1-4H3
InChIKeyOSZAHKARTVSZEE-UHFFFAOYSA-N
MW1513.95 g/mol
LogP31.73
Rot. Bonds18

About 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine

6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 59801002) has the molecular formula C112H84N6 and a molecular weight of 1513.95 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
PubChem CID59801002
Molecular FormulaC112H84N6
Molecular Weight1513.95 g/mol
Exact Mass1512.68
IUPAC Name6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2)c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2)cc1C3(C)C
InChIInChI=1S/C112H84N6/c1-111(2)103-73-93(113(85-53-61-89(62-54-85)115(81-37-9-5-10-38-81)107-49-25-33-77-29-17-21-45-95(77)107)86-55-63-90(64-56-86)116(82-39-11-6-12-40-82)108-50-26-34-78-30-18-22-46-96(78)108)69-71-99(103)101-76-106-102(75-105(101)111)100-72-70-94(74-104(100)112(106,3)4)114(87-57-65-91(66-58-87)117(83-41-13-7-14-42-83)109-51-27-35-79-31-19-23-47-97(79)109)88-59-67-92(68-60-88)118(84-43-15-8-16-44-84)110-52-28-36-80-32-20-24-48-98(80)110/h5-76H,1-4H3
InChIKeyOSZAHKARTVSZEE-UHFFFAOYSA-N
XLogP31.73
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001513.95
LogP ≤ 531.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine with MolForge

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Related Compounds

9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 139968338
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine (CID 59801002) is 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine is CC1(C)c2cc(N(c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2)c2ccc(N(c4ccccc4)c4cccc5ccccc45)cc2)cc1C3(C)C.
What is the InChIKey of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is OSZAHKARTVSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H84N6/c1-111(2)103-73-93(113(85-53-61-89(62-54-85)115(81-37-9-5-10-38-81)107-49-25-33-77-29-17-21-45-95(77)107)86-55-63-90(64-56-86)116(82-39-11-6-12-40-82)108-50-26-34-78-30-18-22-46-96(78)108)69-71-99(103)101-76-106-102(75-105(101)111)100-72-70-94(74-104(100)112(106,3)4)114(87-57-65-91(66-58-87)117(83-41-13-7-14-42-83)109-51-27-35-79-31-19-23-47-97(79)109)88-59-67-92(68-60-88)118(84-43-15-8-16-44-84)110-52-28-36-80-32-20-24-48-98(80)110/h5-76H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 1513.95 g/mol, XLogP of 31.73, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 59801002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).