2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole

C31H24N2 — CID 145126088

IUPAC2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole
SMILESC=C/C(=C\C=C/C)n1c2ccccc2c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C31H24N2/c1-3-5-10-23(4-2)33-30-14-9-7-12-25(30)26-17-15-22(20-31(26)33)21-16-18-29-27(19-21)24-11-6-8-13-28(24)32-29/h3-20,32H,2H2,1H3/b5-3-,23-10+
InChIKeyHKCOYGVJRKWVAK-NWISWWHBSA-N
MW424.55 g/mol
LogP8.70
Rot. Bonds4

About 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole

2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole (PubChem CID 145126088) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole.

Molecular Properties

Compound Name2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole
PubChem CID145126088
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole
SMILESC=C/C(=C\C=C/C)n1c2ccccc2c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C31H24N2/c1-3-5-10-23(4-2)33-30-14-9-7-12-25(30)26-17-15-22(20-31(26)33)21-16-18-29-27(19-21)24-11-6-8-13-28(24)32-29/h3-20,32H,2H2,1H3/b5-3-,23-10+
InChIKeyHKCOYGVJRKWVAK-NWISWWHBSA-N
XLogP8.70
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 144645714
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-1-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)carbazol-3-amine
CID 145060249
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[3-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazol-4-yl]phenyl]carbazole
CID 121306373
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]carbazole
CID 142521204
12-cyclohexa-1,3-dien-1-yl-16-[(3E)-hepta-1,3,5-trien-3-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 144925974
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzimidazole
CID 155323560
14-[4-[1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzimidazol-2-yl]phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 144508272
5-(9H-carbazol-3-yl)-7-phenylindolo[2,3-b]carbazole;(3Z,5Z)-hepta-1,3,5-triene
CID 145396754
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole?
The IUPAC name of 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole (CID 145126088) is 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole.
What is the SMILES notation for 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole?
The canonical SMILES for 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole is C=C/C(=C\C=C/C)n1c2ccccc2c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21.
What is the InChIKey of 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole?
The InChIKey is HKCOYGVJRKWVAK-NWISWWHBSA-N. The full InChI is InChI=1S/C31H24N2/c1-3-5-10-23(4-2)33-30-14-9-7-12-25(30)26-17-15-22(20-31(26)33)21-16-18-29-27(19-21)24-11-6-8-13-28(24)32-29/h3-20,32H,2H2,1H3/b5-3-,23-10+.
What are the key properties of 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole?
2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole has a molecular weight of 424.55 g/mol, XLogP of 8.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-3-yl)-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbazole is sourced from PubChem (CID 145126088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).