4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine

C53H43N3O — CID 176734791

IUPAC4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESC=Cc1ccc(COCc2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C53H43N3O/c1-3-40-20-22-41(23-21-40)37-57-38-42-24-28-48(29-25-42)56-52-17-11-10-16-50(52)51-36-49(34-35-53(51)56)55(44-14-8-5-9-15-44)47-32-30-46(31-33-47)54(43-12-6-4-7-13-43)45-26-18-39(2)19-27-45/h3-36H,1,37-38H2,2H3
InChIKeyCAUYUWBVCKHXCK-UHFFFAOYSA-N
MW737.95 g/mol
LogP14.39
Rot. Bonds12

About 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine

4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 176734791) has the molecular formula C53H43N3O and a molecular weight of 737.95 g/mol. Its IUPAC name is 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID176734791
Molecular FormulaC53H43N3O
Molecular Weight737.95 g/mol
Exact Mass737.34
IUPAC Name4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESC=Cc1ccc(COCc2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C53H43N3O/c1-3-40-20-22-41(23-21-40)37-57-38-42-24-28-48(29-25-42)56-52-17-11-10-16-50(52)51-36-49(34-35-53(51)56)55(44-14-8-5-9-15-44)47-32-30-46(31-33-47)54(43-12-6-4-7-13-43)45-26-18-39(2)19-27-45/h3-36H,1,37-38H2,2H3
InChIKeyCAUYUWBVCKHXCK-UHFFFAOYSA-N
XLogP14.39
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-[4-(methoxymethyl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-9-[4-(methoxymethyl)phenyl]-N-phenylcarbazol-3-amine
CID 146848929
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
N-[4-[6-[(4-ethenylphenyl)methoxymethyl]-9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-[(4-ethenylphenyl)methoxymethyl]-N-[4-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159199644
6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166763972
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[(4-ethenylphenyl)methoxymethyl]-9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160530431
N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-9-[4-[[4-[[4-[3-(N-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]anilino)carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-N-phenylcarbazol-3-amine
CID 146369438
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine (CID 176734791) is 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine is C=Cc1ccc(COCc2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is CAUYUWBVCKHXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N3O/c1-3-40-20-22-41(23-21-40)37-57-38-42-24-28-48(29-25-42)56-52-17-11-10-16-50(52)51-36-49(34-35-53(51)56)55(44-14-8-5-9-15-44)47-32-30-46(31-33-47)54(43-12-6-4-7-13-43)45-26-18-39(2)19-27-45/h3-36H,1,37-38H2,2H3.
What are the key properties of 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 737.95 g/mol, XLogP of 14.39, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 176734791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).