11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole

C29H22N2 — CID 126538258

IUPAC11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
SMILESC=C/C(=C\C)n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C29H22N2/c1-3-20(4-2)30-26-16-10-8-14-22(26)24-19-29-25(18-28(24)30)23-15-9-11-17-27(23)31(29)21-12-6-5-7-13-21/h3-19H,1H2,2H3/b20-4+
InChIKeyDRLPNSXDRDRYSW-LRNAUUFOSA-N
MW398.51 g/mol
LogP7.94
Rot. Bonds3

About 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole

11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 126538258) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
PubChem CID126538258
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
SMILESC=C/C(=C\C)n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C29H22N2/c1-3-20(4-2)30-26-16-10-8-14-22(26)24-19-29-25(18-28(24)30)23-15-9-11-17-27(23)31(29)21-12-6-5-7-13-21/h3-19H,1H2,2H3/b20-4+
InChIKeyDRLPNSXDRDRYSW-LRNAUUFOSA-N
XLogP7.94
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
CID 129225827
9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;prop-1-ene
CID 145334335
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
CID 145151690
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
11,12-bis(ethenyl)-13-[(3E)-penta-1,3-dien-3-yl]-8-phenyl-8,10,13,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
CID 154646800
N-[(1E,3Z)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]penta-1,3-dienyl]methanimine
CID 139538566
buta-1,3-diene;3-ethyl-6-[4-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 145212546
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole (CID 126538258) is 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole is C=C/C(=C\C)n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is DRLPNSXDRDRYSW-LRNAUUFOSA-N. The full InChI is InChI=1S/C29H22N2/c1-3-20(4-2)30-26-16-10-8-14-22(26)24-19-29-25(18-28(24)30)23-15-9-11-17-27(23)31(29)21-12-6-5-7-13-21/h3-19H,1H2,2H3/b20-4+.
What are the key properties of 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole?
11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 398.51 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 126538258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).