9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole

C36H31NO — CID 166797350

IUPAC9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole
SMILESC1=CC2c3cc(-c4ccc5oc6c(c5c4)CCCC6)ccc3N(c3cccc(-c4ccccc4)c3)C2CC1
InChIInChI=1S/C36H31NO/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)37-33-15-6-4-13-29(33)31-22-26(17-19-34(31)37)27-18-20-36-32(23-27)30-14-5-7-16-35(30)38-36/h1-4,8-13,17-23,29,33H,5-7,14-16H2
InChIKeyHUUYVIQLZCZTPL-UHFFFAOYSA-N
MW493.65 g/mol
LogP9.60
Rot. Bonds3

About 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole

9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole (PubChem CID 166797350) has the molecular formula C36H31NO and a molecular weight of 493.65 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole
PubChem CID166797350
Molecular FormulaC36H31NO
Molecular Weight493.65 g/mol
Exact Mass493.24
IUPAC Name9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole
SMILESC1=CC2c3cc(-c4ccc5oc6c(c5c4)CCCC6)ccc3N(c3cccc(-c4ccccc4)c3)C2CC1
InChIInChI=1S/C36H31NO/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)37-33-15-6-4-13-29(33)31-22-26(17-19-34(31)37)27-18-20-36-32(23-27)30-14-5-7-16-35(30)38-36/h1-4,8-13,17-23,29,33H,5-7,14-16H2
InChIKeyHUUYVIQLZCZTPL-UHFFFAOYSA-N
XLogP9.60
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
CID 134390506
3-[6-[3-[6-(9-phenylcarbazol-3-yl)-1,2,4a,9a-tetrahydrocarbazol-9-yl]phenyl]-1,2-dihydropyridin-2-yl]benzonitrile
CID 155017021
9-(2,3-dihydronaphthalen-2-yl)-3-[4-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-6-[(1R)-1,2,2-triphenylethyl]carbazole
CID 126590424
9-[4-(2-dibenzofuran-2-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]-1,2,4a,9a-tetrahydrocarbazole
CID 163902590
9-[4-(4-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2(7),3,5,8,10,14,16,18-nonaenyl)phenyl]-3-[9-[4-(4-phenylphenyl)phenyl]-4b,7,8,8a-tetrahydrocarbazol-3-yl]carbazole
CID 155471699
14-(3-phenylphenyl)-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163865262
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-[8-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]-1,2,4a,9a-tetrahydrocarbazole
CID 166962293
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
N-cyclohexa-2,4-dien-1-yl-N-[4-[4'-[4-(N-[3-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]phenyl]-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)aniline
CID 88985239

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole?
The IUPAC name of 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole (CID 166797350) is 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole?
The canonical SMILES for 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole is C1=CC2c3cc(-c4ccc5oc6c(c5c4)CCCC6)ccc3N(c3cccc(-c4ccccc4)c3)C2CC1.
What is the InChIKey of 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole?
The InChIKey is HUUYVIQLZCZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31NO/c1-2-9-24(10-3-1)25-11-8-12-28(21-25)37-33-15-6-4-13-29(33)31-22-26(17-19-34(31)37)27-18-20-36-32(23-27)30-14-5-7-16-35(30)38-36/h1-4,8-13,17-23,29,33H,5-7,14-16H2.
What are the key properties of 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole?
9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole has a molecular weight of 493.65 g/mol, XLogP of 9.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole is sourced from PubChem (CID 166797350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).