3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine

C43H37N3O2 — CID 155159230

IUPAC3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine
SMILESC=Cc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C=C)cc4)c4ccc(OC)cc4)ccc2n3C)cc1
InChIInChI=1S/C43H37N3O2/c1-6-30-8-12-32(13-9-30)45(34-16-22-38(47-4)23-17-34)36-20-26-42-40(28-36)41-29-37(21-27-43(41)44(42)3)46(33-14-10-31(7-2)11-15-33)35-18-24-39(48-5)25-19-35/h6-29H,1-2H2,3-5H3
InChIKeySFYLIJZTNALYRT-UHFFFAOYSA-N
MW627.79 g/mol
LogP11.57
Rot. Bonds10

About 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine

3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine (PubChem CID 155159230) has the molecular formula C43H37N3O2 and a molecular weight of 627.79 g/mol. Its IUPAC name is 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine
PubChem CID155159230
Molecular FormulaC43H37N3O2
Molecular Weight627.79 g/mol
Exact Mass627.29
IUPAC Name3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine
SMILESC=Cc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C=C)cc4)c4ccc(OC)cc4)ccc2n3C)cc1
InChIInChI=1S/C43H37N3O2/c1-6-30-8-12-32(13-9-30)45(34-16-22-38(47-4)23-17-34)36-20-26-42-40(28-36)41-29-37(21-27-43(41)44(42)3)46(33-14-10-31(7-2)11-15-33)35-18-24-39(48-5)25-19-35/h6-29H,1-2H2,3-5H3
InChIKeySFYLIJZTNALYRT-UHFFFAOYSA-N
XLogP11.57
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
CID 143236484
9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 122546741
N-(4-ethenylphenyl)-4-methoxy-N-(4-methoxy-3-methylphenyl)-3-methylaniline
CID 69462200
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
9-[9,14-bis[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 132531146
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
1-ethenyl-4-methoxybenzene;triazine
CID 174412273
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
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

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine (CID 155159230) is 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine is C=Cc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(C=C)cc4)c4ccc(OC)cc4)ccc2n3C)cc1.
What is the InChIKey of 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine?
The InChIKey is SFYLIJZTNALYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N3O2/c1-6-30-8-12-32(13-9-30)45(34-16-22-38(47-4)23-17-34)36-20-26-42-40(28-36)41-29-37(21-27-43(41)44(42)3)46(33-14-10-31(7-2)11-15-33)35-18-24-39(48-5)25-19-35/h6-29H,1-2H2,3-5H3.
What are the key properties of 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine?
3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine has a molecular weight of 627.79 g/mol, XLogP of 11.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine is sourced from PubChem (CID 155159230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).