5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine

C49H33N3O — CID 177081994

IUPAC5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(-c6nc7ccccc7o6)cccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C49H33N3O/c1-4-13-34(14-5-1)36-23-27-39(28-24-36)51(40-29-25-37(26-30-40)35-15-6-2-7-16-35)41-31-32-42-46(33-41)52(38-17-8-3-9-18-38)45-21-12-19-43(48(42)45)49-50-44-20-10-11-22-47(44)53-49/h1-33H
InChIKeyNIQPTZMFAIYKFT-UHFFFAOYSA-N
MW679.82 g/mol
LogP13.40
Rot. Bonds7

About 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine

5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine (PubChem CID 177081994) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
PubChem CID177081994
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(-c6nc7ccccc7o6)cccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C49H33N3O/c1-4-13-34(14-5-1)36-23-27-39(28-24-36)51(40-29-25-37(26-30-40)35-15-6-2-7-16-35)41-31-32-42-46(33-41)52(38-17-8-3-9-18-38)45-21-12-19-43(48(42)45)49-50-44-20-10-11-22-47(44)53-49/h1-33H
InChIKeyNIQPTZMFAIYKFT-UHFFFAOYSA-N
XLogP13.40
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
4-[9-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 177081739
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 160958614
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine (CID 177081994) is 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(-c6nc7ccccc7o6)cccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The InChIKey is NIQPTZMFAIYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-4-13-34(14-5-1)36-23-27-39(28-24-36)51(40-29-25-37(26-30-40)35-15-6-2-7-16-35)41-31-32-42-46(33-41)52(38-17-8-3-9-18-38)45-21-12-19-43(48(42)45)49-50-44-20-10-11-22-47(44)53-49/h1-33H.
What are the key properties of 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine has a molecular weight of 679.82 g/mol, XLogP of 13.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 177081994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).