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

C43H29N3O — CID 59500988

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C43H29N3O/c1-3-11-30(12-4-1)31-19-23-35(24-20-31)46-40-17-9-7-15-37(40)38-29-36(27-28-41(38)46)45(33-13-5-2-6-14-33)34-25-21-32(22-26-34)43-44-39-16-8-10-18-42(39)47-43/h1-29H
InChIKeyOMMFVKORUSJVBV-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.73
Rot. Bonds6

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine (PubChem CID 59500988) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
PubChem CID59500988
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C43H29N3O/c1-3-11-30(12-4-1)31-19-23-35(24-20-31)46-40-17-9-7-15-37(40)38-29-36(27-28-41(38)46)45(33-13-5-2-6-14-33)34-25-21-32(22-26-34)43-44-39-16-8-10-18-42(39)47-43/h1-29H
InChIKeyOMMFVKORUSJVBV-UHFFFAOYSA-N
XLogP11.73
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 126585578
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
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
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline
CID 174347611
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine (CID 59500988) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc43)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is OMMFVKORUSJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-11-30(12-4-1)31-19-23-35(24-20-31)46-40-17-9-7-15-37(40)38-29-36(27-28-41(38)46)45(33-13-5-2-6-14-33)34-25-21-32(22-26-34)43-44-39-16-8-10-18-42(39)47-43/h1-29H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 603.73 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 59500988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).