(2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine

C31H27N3 — CID 166971974

IUPAC(2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine
SMILESCc1ccc2c(c1)c1ccccc1n2C(=C/C=C\CN)n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C31H27N3/c1-21-14-16-29-25(19-21)23-9-3-5-11-27(23)33(29)31(13-7-8-18-32)34-28-12-6-4-10-24(28)26-20-22(2)15-17-30(26)34/h3-17,19-20H,18,32H2,1-2H3/b8-7-
InChIKeyYKNFSEHQYDVOPY-FPLPWBNLSA-N
MW441.58 g/mol
LogP7.20
Rot. Bonds4

About (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine

(2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine (PubChem CID 166971974) has the molecular formula C31H27N3 and a molecular weight of 441.58 g/mol. Its IUPAC name is (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine
PubChem CID166971974
Molecular FormulaC31H27N3
Molecular Weight441.58 g/mol
Exact Mass441.22
IUPAC Name(2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine
SMILESCc1ccc2c(c1)c1ccccc1n2C(=C/C=C\CN)n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C31H27N3/c1-21-14-16-29-25(19-21)23-9-3-5-11-27(23)33(29)31(13-7-8-18-32)34-28-12-6-4-10-24(28)26-20-22(2)15-17-30(26)34/h3-17,19-20H,18,32H2,1-2H3/b8-7-
InChIKeyYKNFSEHQYDVOPY-FPLPWBNLSA-N
XLogP7.20
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3-methyl-9-oxidocarbazole
CID 166517305
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303

Frequently Asked Questions

What is the IUPAC name of (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine (CID 166971974) is (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine is Cc1ccc2c(c1)c1ccccc1n2C(=C/C=C\CN)n1c2ccccc2c2cc(C)ccc21.
What is the InChIKey of (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine?
The InChIKey is YKNFSEHQYDVOPY-FPLPWBNLSA-N. The full InChI is InChI=1S/C31H27N3/c1-21-14-16-29-25(19-21)23-9-3-5-11-27(23)33(29)31(13-7-8-18-32)34-28-12-6-4-10-24(28)26-20-22(2)15-17-30(26)34/h3-17,19-20H,18,32H2,1-2H3/b8-7-.
What are the key properties of (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine?
(2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine has a molecular weight of 441.58 g/mol, XLogP of 7.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5,5-bis(3-methylcarbazol-9-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 166971974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).