N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline

C39H29N3O — CID 59500975

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1N(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C39H29N3O/c1-26-25-37(42-34-17-9-6-14-31(34)32-15-7-10-18-35(32)42)27(2)24-36(26)41(29-12-4-3-5-13-29)30-22-20-28(21-23-30)39-40-33-16-8-11-19-38(33)43-39/h3-25H,1-2H3
InChIKeyYQOXTXIJIZJPCG-UHFFFAOYSA-N
MW555.68 g/mol
LogP10.68
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline (PubChem CID 59500975) has the molecular formula C39H29N3O and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline
PubChem CID59500975
Molecular FormulaC39H29N3O
Molecular Weight555.68 g/mol
Exact Mass555.23
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1N(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C39H29N3O/c1-26-25-37(42-34-17-9-6-14-31(34)32-15-7-10-18-35(32)42)27(2)24-36(26)41(29-12-4-3-5-13-29)30-22-20-28(21-23-30)39-40-33-16-8-11-19-38(33)43-39/h3-25H,1-2H3
InChIKeyYQOXTXIJIZJPCG-UHFFFAOYSA-N
XLogP10.68
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 510.68
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
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
9-[2,5-dimethyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130353429
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59500994
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 134237440
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
2-[3-(1,3-benzoxazol-2-yl)-5-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole;3-[2-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole;9-phenyl-3-[2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]carbazole;N-phenyl-N-[4-[2-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]naphthalen-1-amine
CID 162176172
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]dibenzofuran-4-amine
CID 155402854

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline (CID 59500975) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline is Cc1cc(-n2c3ccccc3c3ccccc32)c(C)cc1N(c1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline?
The InChIKey is YQOXTXIJIZJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3O/c1-26-25-37(42-34-17-9-6-14-31(34)32-15-7-10-18-35(32)42)27(2)24-36(26)41(29-12-4-3-5-13-29)30-22-20-28(21-23-30)39-40-33-16-8-11-19-38(33)43-39/h3-25H,1-2H3.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline has a molecular weight of 555.68 g/mol, XLogP of 10.68, 5 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]-4-carbazol-9-yl-2,5-dimethyl-N-phenylaniline is sourced from PubChem (CID 59500975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).