N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine

C32H27N3 — CID 144614568

IUPACN-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(Nc3cccc4c5ccccc5n(C)c34)cccc21
InChIInChI=1S/C32H27N3/c1-4-12-22(13-5-2)35-29-20-9-7-15-25(29)31-26(17-11-21-30(31)35)33-27-18-10-16-24-23-14-6-8-19-28(23)34(3)32(24)27/h4-21,33H,1H2,2-3H3/b13-5-,22-12+
InChIKeyMKHILXPFUWCKTQ-JWDBVLSBSA-N
MW453.59 g/mol
LogP8.79
Rot. Bonds5

About N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine

N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine (PubChem CID 144614568) has the molecular formula C32H27N3 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine.

Molecular Properties

Compound NameN-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine
PubChem CID144614568
Molecular FormulaC32H27N3
Molecular Weight453.59 g/mol
Exact Mass453.22
IUPAC NameN-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(Nc3cccc4c5ccccc5n(C)c34)cccc21
InChIInChI=1S/C32H27N3/c1-4-12-22(13-5-2)35-29-20-9-7-15-25(29)31-26(17-11-21-30(31)35)33-27-18-10-16-24-23-14-6-8-19-28(23)34(3)32(24)27/h4-21,33H,1H2,2-3H3/b13-5-,22-12+
InChIKeyMKHILXPFUWCKTQ-JWDBVLSBSA-N
XLogP8.79
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.79
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

4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 146535446
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-6-phenyl-9-(4-phenylphenyl)carbazole
CID 145269130
CID 174098939
CID 174098939
3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,6-dimethylcarbazole
CID 143924149
4-[8-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 156643155
3-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 142321916
9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-1-ylcarbazol-4-amine
CID 145092835
12-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzo[b]carbazol-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145051771
4-[4-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-24-phenyl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaen-15-yl]phenyl]sulfinylbenzonitrile
CID 171845061
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylcarbazol-3-yl]-diphenylborane
CID 144597046

Frequently Asked Questions

What is the IUPAC name of N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine?
The IUPAC name of N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine (CID 144614568) is N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine.
What is the SMILES notation for N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine?
The canonical SMILES for N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine is C=C/C=C(\C=C/C)n1c2ccccc2c2c(Nc3cccc4c5ccccc5n(C)c34)cccc21.
What is the InChIKey of N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine?
The InChIKey is MKHILXPFUWCKTQ-JWDBVLSBSA-N. The full InChI is InChI=1S/C32H27N3/c1-4-12-22(13-5-2)35-29-20-9-7-15-25(29)31-26(17-11-21-30(31)35)33-27-18-10-16-24-23-14-6-8-19-28(23)34(3)32(24)27/h4-21,33H,1H2,2-3H3/b13-5-,22-12+.
What are the key properties of N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine?
N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine has a molecular weight of 453.59 g/mol, XLogP of 8.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-4-yl]-9-methylcarbazol-1-amine is sourced from PubChem (CID 144614568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).