5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C60H42N4 — CID 58827958

IUPAC5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C60H42N4/c1-5-21-45(22-6-1)61(46-23-7-2-8-24-46)49-37-43(38-50(41-49)62(47-25-9-3-10-26-47)48-27-11-4-12-28-48)44-39-51(63-57-33-17-13-29-53(57)54-30-14-18-34-58(54)63)42-52(40-44)64-59-35-19-15-31-55(59)56-32-16-20-36-60(56)64/h1-42H
InChIKeyVWAXCPPPPOSYQR-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.49
Rot. Bonds9

About 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 58827958) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID58827958
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C60H42N4/c1-5-21-45(22-6-1)61(46-23-7-2-8-24-46)49-37-43(38-50(41-49)62(47-25-9-3-10-26-47)48-27-11-4-12-28-48)44-39-51(63-57-33-17-13-29-53(57)54-30-14-18-34-58(54)63)42-52(40-44)64-59-35-19-15-31-55(59)56-32-16-20-36-60(56)64/h1-42H
InChIKeyVWAXCPPPPOSYQR-UHFFFAOYSA-N
XLogP16.49
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 129175640
7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
CID 88884831
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
1-N,1-N,3-N,3-N-tetraphenyl-5-(23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)benzene-1,3-diamine
CID 89417810
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 58827958) is 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is VWAXCPPPPOSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-5-21-45(22-6-1)61(46-23-7-2-8-24-46)49-37-43(38-50(41-49)62(47-25-9-3-10-26-47)48-27-11-4-12-28-48)44-39-51(63-57-33-17-13-29-53(57)54-30-14-18-34-58(54)63)42-52(40-44)64-59-35-19-15-31-55(59)56-32-16-20-36-60(56)64/h1-42H.
What are the key properties of 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 819.02 g/mol, XLogP of 16.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 58827958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).