9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole

C30H34N2 — CID 90160739

IUPAC9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole
SMILESCC(C/C=C\CN1C2=C(CCC=C2)C2C=CC=CC21)N1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C30H34N2/c1-22(32-29-19-8-4-15-25(29)26-16-5-9-20-30(26)32)12-10-11-21-31-27-17-6-2-13-23(27)24-14-3-7-18-28(24)31/h2,4-11,13,15-20,22-23,25-27,29-30H,3,12,14,21H2,1H3/b11-10-
InChIKeyQNQJFHLZWRZUQU-KHPPLWFESA-N
MW422.62 g/mol
LogP5.89
Rot. Bonds5

About 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole

9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole (PubChem CID 90160739) has the molecular formula C30H34N2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole
PubChem CID90160739
Molecular FormulaC30H34N2
Molecular Weight422.62 g/mol
Exact Mass422.27
IUPAC Name9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole
SMILESCC(C/C=C\CN1C2=C(CCC=C2)C2C=CC=CC21)N1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C30H34N2/c1-22(32-29-19-8-4-15-25(29)26-16-5-9-20-30(26)32)12-10-11-21-31-27-17-6-2-13-23(27)24-14-3-7-18-28(24)31/h2,4-11,13,15-20,22-23,25-27,29-30H,3,12,14,21H2,1H3/b11-10-
InChIKeyQNQJFHLZWRZUQU-KHPPLWFESA-N
XLogP5.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole?
The IUPAC name of 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole (CID 90160739) is 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole.
What is the SMILES notation for 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole?
The canonical SMILES for 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole is CC(C/C=C\CN1C2=C(CCC=C2)C2C=CC=CC21)N1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole?
The InChIKey is QNQJFHLZWRZUQU-KHPPLWFESA-N. The full InChI is InChI=1S/C30H34N2/c1-22(32-29-19-8-4-15-25(29)26-16-5-9-20-30(26)32)12-10-11-21-31-27-17-6-2-13-23(27)24-14-3-7-18-28(24)31/h2,4-11,13,15-20,22-23,25-27,29-30H,3,12,14,21H2,1H3/b11-10-.
What are the key properties of 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole?
9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole has a molecular weight of 422.62 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-5-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)hex-2-enyl]-3,4,4b,8a-tetrahydrocarbazole is sourced from PubChem (CID 90160739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).