ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole

C38H34N2 — CID 142481951

IUPACethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESC/C=C\C=C/Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12.CC
InChIInChI=1S/C36H28N2.C2H6/c1-2-3-4-12-25-37-32-17-10-9-16-31(32)35-34(37)24-23-30-29-15-8-11-18-33(29)38(36(30)35)28-21-19-27(20-22-28)26-13-6-5-7-14-26;1-2/h2-24H,25H2,1H3;1-2H3/b3-2-,12-4-;
InChIKeyOGQSMPHLJOJRPL-SHCZMLLBSA-N
MW518.70 g/mol
LogP10.72
Rot. Bonds5

About ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole

ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 142481951) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Nameethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID142481951
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC Nameethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESC/C=C\C=C/Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12.CC
InChIInChI=1S/C36H28N2.C2H6/c1-2-3-4-12-25-37-32-17-10-9-16-31(32)35-34(37)24-23-30-29-15-8-11-18-33(29)38(36(30)35)28-21-19-27(20-22-28)26-13-6-5-7-14-26;1-2/h2-24H,25H2,1H3;1-2H3/b3-2-,12-4-;
InChIKeyOGQSMPHLJOJRPL-SHCZMLLBSA-N
XLogP10.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole (CID 142481951) is ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole is C/C=C\C=C/Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c12.CC.
What is the InChIKey of ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is OGQSMPHLJOJRPL-SHCZMLLBSA-N. The full InChI is InChI=1S/C36H28N2.C2H6/c1-2-3-4-12-25-37-32-17-10-9-16-31(32)35-34(37)24-23-30-29-15-8-11-18-33(29)38(36(30)35)28-21-19-27(20-22-28)26-13-6-5-7-14-26;1-2/h2-24H,25H2,1H3;1-2H3/b3-2-,12-4-;.
What are the key properties of ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole?
ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 518.70 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(2Z,4Z)-hexa-2,4-dienyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 142481951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).