3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole

C30H26N2 — CID 163628284

IUPAC3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(C4=CC5c6ccccc6NC5C=C4)ccc32)CC1
InChIInChI=1S/C30H26N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-2,4-7,10-19,22,25,28,31H,3,8-9H2
InChIKeyHTVWYLCKRLCHQA-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.61
Rot. Bonds2

About 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole

3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole (PubChem CID 163628284) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole.

Molecular Properties

Compound Name3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole
PubChem CID163628284
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole
SMILESC1=CCC(n2c3ccccc3c3cc(C4=CC5c6ccccc6NC5C=C4)ccc32)CC1
InChIInChI=1S/C30H26N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-2,4-7,10-19,22,25,28,31H,3,8-9H2
InChIKeyHTVWYLCKRLCHQA-UHFFFAOYSA-N
XLogP7.61
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[4-[5-(9-cyclohex-3-en-1-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129076064
3-methoxy-9,9a-dihydro-4aH-carbazole
CID 58078019
N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 170041744
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 166859669
14,14-dimethyl-9-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16-octaene
CID 145064314
9-(4-phenylcyclohexa-1,5-dien-1-yl)-7-triphenylen-2-yl-1,2,4b,8a-tetrahydrocarbazole
CID 137397812
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
10-carbazol-9-yl-7a,11a-dihydro-7H-benzo[c]carbazole
CID 155237432
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739

Frequently Asked Questions

What is the IUPAC name of 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole?
The IUPAC name of 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole (CID 163628284) is 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole.
What is the SMILES notation for 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole?
The canonical SMILES for 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole is C1=CCC(n2c3ccccc3c3cc(C4=CC5c6ccccc6NC5C=C4)ccc32)CC1.
What is the InChIKey of 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole?
The InChIKey is HTVWYLCKRLCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28/h1-2,4-7,10-19,22,25,28,31H,3,8-9H2.
What are the key properties of 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole?
3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole has a molecular weight of 414.55 g/mol, XLogP of 7.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole is sourced from PubChem (CID 163628284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).