1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine

C106H80N6 — CID 163885983

IUPAC1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESC1=CC(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccccc5)c4c3)cc2)=CCC1
InChIInChI=1S/C106H80N6/c1-12-34-79(35-13-1)103-101-77-76-100(112(91-54-32-11-33-55-91)99-74-72-96(73-75-99)109(87-46-24-7-25-47-87)88-48-26-8-27-49-88)78-102(101)104(80-36-14-2-15-37-80)106(82-58-62-93(63-59-82)111(90-52-30-10-31-53-90)98-70-66-95(67-71-98)108(85-42-20-5-21-43-85)86-44-22-6-23-45-86)105(103)81-56-60-92(61-57-81)110(89-50-28-9-29-51-89)97-68-64-94(65-69-97)107(83-38-16-3-17-39-83)84-40-18-4-19-41-84/h1-7,9-26,28-78H,8,27H2
InChIKeyPXICTKZLQZPNJO-UHFFFAOYSA-N
MW1437.85 g/mol
LogP30.23
Rot. Bonds22

About 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine

1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 163885983) has the molecular formula C106H80N6 and a molecular weight of 1437.85 g/mol. Its IUPAC name is 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID163885983
Molecular FormulaC106H80N6
Molecular Weight1437.85 g/mol
Exact Mass1436.64
IUPAC Name1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESC1=CC(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccccc5)c4c3)cc2)=CCC1
InChIInChI=1S/C106H80N6/c1-12-34-79(35-13-1)103-101-77-76-100(112(91-54-32-11-33-55-91)99-74-72-96(73-75-99)109(87-46-24-7-25-47-87)88-48-26-8-27-49-88)78-102(101)104(80-36-14-2-15-37-80)106(82-58-62-93(63-59-82)111(90-52-30-10-31-53-90)98-70-66-95(67-71-98)108(85-42-20-5-21-43-85)86-44-22-6-23-45-86)105(103)81-56-60-92(61-57-81)110(89-50-28-9-29-51-89)97-68-64-94(65-69-97)107(83-38-16-3-17-39-83)84-40-18-4-19-41-84/h1-7,9-26,28-78H,8,27H2
InChIKeyPXICTKZLQZPNJO-UHFFFAOYSA-N
XLogP30.23
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.85
LogP ≤ 530.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
2-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-4,6-bis[4-(N-phenylanilino)phenyl]benzene-1,3,5-tricarbonitrile
CID 167289625
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 145410466
10-N-cyclohexa-1,5-dien-1-yl-9-N,9-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 89189854
6-(N-cyclohexa-1,5-dien-1-ylanilino)-2-(N-phenylanilino)xanthen-9-one
CID 145444862
4-[3-tert-butyl-12-[4-(N-phenylanilino)phenyl]chrysen-6-yl]-N-cyclohexa-1,5-dien-1-yl-N-phenylaniline
CID 90833683
6-N-cyclohexa-1,5-dien-1-yl-1-N,1-N,6-N-triphenylpyrene-1,6-diamine
CID 129054725
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine (CID 163885983) is 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine is C1=CC(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c(-c5ccccc5)c4c3)cc2)=CCC1.
What is the InChIKey of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is PXICTKZLQZPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H80N6/c1-12-34-79(35-13-1)103-101-77-76-100(112(91-54-32-11-33-55-91)99-74-72-96(73-75-99)109(87-46-24-7-25-47-87)88-48-26-8-27-49-88)78-102(101)104(80-36-14-2-15-37-80)106(82-58-62-93(63-59-82)111(90-52-30-10-31-53-90)98-70-66-95(67-71-98)108(85-42-20-5-21-43-85)86-44-22-6-23-45-86)105(103)81-56-60-92(61-57-81)110(89-50-28-9-29-51-89)97-68-64-94(65-69-97)107(83-38-16-3-17-39-83)84-40-18-4-19-41-84/h1-7,9-26,28-78H,8,27H2.
What are the key properties of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 1437.85 g/mol, XLogP of 30.23, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 163885983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).