3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole

C33H28N2 — CID 118369096

IUPAC3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
SMILESCC(C)c1ccc2[nH]c3ccc(C4=CC5c6ccccc6N(c6ccccc6)C5C=C4)cc3c2c1
InChIInChI=1S/C33H28N2/c1-21(2)22-12-15-30-27(18-22)28-19-23(13-16-31(28)34-30)24-14-17-33-29(20-24)26-10-6-7-11-32(26)35(33)25-8-4-3-5-9-25/h3-21,29,33-34H,1-2H3
InChIKeySCMGDSJUQRGSRW-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.70
Rot. Bonds3

About 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole

3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole (PubChem CID 118369096) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole.

Molecular Properties

Compound Name3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
PubChem CID118369096
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
SMILESCC(C)c1ccc2[nH]c3ccc(C4=CC5c6ccccc6N(c6ccccc6)C5C=C4)cc3c2c1
InChIInChI=1S/C33H28N2/c1-21(2)22-12-15-30-27(18-22)28-19-23(13-16-31(28)34-30)24-14-17-33-29(20-24)26-10-6-7-11-32(26)35(33)25-8-4-3-5-9-25/h3-21,29,33-34H,1-2H3
InChIKeySCMGDSJUQRGSRW-UHFFFAOYSA-N
XLogP8.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
3-[9-[2-(2-methylpropyl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369062
3,6-bis[6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 59818479
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
3-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 171405969

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole?
The IUPAC name of 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole (CID 118369096) is 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole.
What is the SMILES notation for 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole?
The canonical SMILES for 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole is CC(C)c1ccc2[nH]c3ccc(C4=CC5c6ccccc6N(c6ccccc6)C5C=C4)cc3c2c1.
What is the InChIKey of 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole?
The InChIKey is SCMGDSJUQRGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-21(2)22-12-15-30-27(18-22)28-19-23(13-16-31(28)34-30)24-14-17-33-29(20-24)26-10-6-7-11-32(26)35(33)25-8-4-3-5-9-25/h3-21,29,33-34H,1-2H3.
What are the key properties of 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole?
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole has a molecular weight of 452.60 g/mol, XLogP of 8.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole is sourced from PubChem (CID 118369096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).