1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine

C40H35N3O4 — CID 162232953

IUPAC1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine
SMILESCOc1ccc(-c2c(N)c(-c3ccc(OC)cc3)c3[nH]c4cc(N)cc(-c5ccc(OC)cc5)c4c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H35N3O4/c1-44-28-13-5-23(6-14-28)32-21-27(41)22-33-37(32)38-34(24-7-15-29(45-2)16-8-24)35(25-9-17-30(46-3)18-10-25)39(42)36(40(38)43-33)26-11-19-31(47-4)20-12-26/h5-22,43H,41-42H2,1-4H3
InChIKeyZVRHDBFSAXLJBS-UHFFFAOYSA-N
MW621.74 g/mol
LogP9.19
Rot. Bonds8

About 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine

1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine (PubChem CID 162232953) has the molecular formula C40H35N3O4 and a molecular weight of 621.74 g/mol. Its IUPAC name is 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine.

Molecular Properties

Compound Name1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine
PubChem CID162232953
Molecular FormulaC40H35N3O4
Molecular Weight621.74 g/mol
Exact Mass621.26
IUPAC Name1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine
SMILESCOc1ccc(-c2c(N)c(-c3ccc(OC)cc3)c3[nH]c4cc(N)cc(-c5ccc(OC)cc5)c4c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H35N3O4/c1-44-28-13-5-23(6-14-28)32-21-27(41)22-33-37(32)38-34(24-7-15-29(45-2)16-8-24)35(25-9-17-30(46-3)18-10-25)39(42)36(40(38)43-33)26-11-19-31(47-4)20-12-26/h5-22,43H,41-42H2,1-4H3
InChIKeyZVRHDBFSAXLJBS-UHFFFAOYSA-N
XLogP9.19
TPSA104.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 59.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-1,2-diphenyl-9H-carbazole
CID 102141749
1,2,3,6,7-pentakis(4-methoxyphenyl)-9H-carbazole
CID 122366134
3-(4-bromophenyl)-2-[3-(4-bromophenyl)-4,6-bis(4-methoxyphenyl)-1H-indol-2-yl]-4,6-bis(4-methoxyphenyl)-1H-indole
CID 101461868
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
CID 87111772
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
6-(4-methoxyphenyl)-7-methyl-1H-quinolin-2-one
CID 169119719
4-(2-amino-9H-carbazol-4-yl)phenol
CID 174518195
3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
2-chloro-4-(4-methoxyphenyl)thiophen-3-amine
CID 114749329
2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile
CID 67545771
4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
CID 15268585

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine?
The IUPAC name of 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine (CID 162232953) is 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine.
What is the SMILES notation for 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine?
The canonical SMILES for 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine is COc1ccc(-c2c(N)c(-c3ccc(OC)cc3)c3[nH]c4cc(N)cc(-c5ccc(OC)cc5)c4c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine?
The InChIKey is ZVRHDBFSAXLJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N3O4/c1-44-28-13-5-23(6-14-28)32-21-27(41)22-33-37(32)38-34(24-7-15-29(45-2)16-8-24)35(25-9-17-30(46-3)18-10-25)39(42)36(40(38)43-33)26-11-19-31(47-4)20-12-26/h5-22,43H,41-42H2,1-4H3.
What are the key properties of 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine?
1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine has a molecular weight of 621.74 g/mol, XLogP of 9.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrakis(4-methoxyphenyl)-9H-carbazole-2,7-diamine is sourced from PubChem (CID 162232953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).