9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine

C82H56N4 — CID 58161015

IUPAC9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c(-c6ccccc6)c(-c6ccccc6)n7-c6ccccc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C82H56N4/c1-8-24-59(25-9-1)79-73-54-63(44-51-77(73)85(66-34-18-6-19-35-66)81(79)61-28-12-3-13-29-61)57-40-46-68(47-41-57)83(70-50-53-76-72(56-70)71-38-22-23-39-75(71)84(76)65-32-16-5-17-33-65)69-48-42-58(43-49-69)64-45-52-78-74(55-64)80(60-26-10-2-11-27-60)82(62-30-14-4-15-31-62)86(78)67-36-20-7-21-37-67/h1-56H
InChIKeyLQKQLGQBNOZDKH-UHFFFAOYSA-N
MW1097.38 g/mol
LogP22.14
Rot. Bonds12

About 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine

9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine (PubChem CID 58161015) has the molecular formula C82H56N4 and a molecular weight of 1097.38 g/mol. Its IUPAC name is 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
PubChem CID58161015
Molecular FormulaC82H56N4
Molecular Weight1097.38 g/mol
Exact Mass1096.45
IUPAC Name9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c(-c6ccccc6)c(-c6ccccc6)n7-c6ccccc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C82H56N4/c1-8-24-59(25-9-1)79-73-54-63(44-51-77(73)85(66-34-18-6-19-35-66)81(79)61-28-12-3-13-29-61)57-40-46-68(47-41-57)83(70-50-53-76-72(56-70)71-38-22-23-39-75(71)84(76)65-32-16-5-17-33-65)69-48-42-58(43-49-69)64-45-52-78-74(55-64)80(60-26-10-2-11-27-60)82(62-30-14-4-15-31-62)86(78)67-36-20-7-21-37-67/h1-56H
InChIKeyLQKQLGQBNOZDKH-UHFFFAOYSA-N
XLogP22.14
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.38
LogP ≤ 522.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine?
The IUPAC name of 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine (CID 58161015) is 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine?
The canonical SMILES for 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c(-c6ccccc6)c(-c6ccccc6)n7-c6ccccc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc23)cc1.
What is the InChIKey of 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine?
The InChIKey is LQKQLGQBNOZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N4/c1-8-24-59(25-9-1)79-73-54-63(44-51-77(73)85(66-34-18-6-19-35-66)81(79)61-28-12-3-13-29-61)57-40-46-68(47-41-57)83(70-50-53-76-72(56-70)71-38-22-23-39-75(71)84(76)65-32-16-5-17-33-65)69-48-42-58(43-49-69)64-45-52-78-74(55-64)80(60-26-10-2-11-27-60)82(62-30-14-4-15-31-62)86(78)67-36-20-7-21-37-67/h1-56H.
What are the key properties of 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine?
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine has a molecular weight of 1097.38 g/mol, XLogP of 22.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58161015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).