9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole

C37H29N — CID 170067507

IUPAC9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole
SMILESc1ccc(-n2c3c(c4ccccc42)CCCC3)c(Cc2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C37H29N/c1-8-18-35(38-36-19-9-6-16-32(36)33-17-7-10-20-37(33)38)26(11-1)23-25-21-22-31-29-14-3-2-12-27(29)28-13-4-5-15-30(28)34(31)24-25/h1-6,8-9,11-16,18-19,21-22,24H,7,10,17,20,23H2
InChIKeyGHOFWZONZLAIHM-UHFFFAOYSA-N
MW487.65 g/mol
LogP9.56
Rot. Bonds3

About 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole

9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 170067507) has the molecular formula C37H29N and a molecular weight of 487.65 g/mol. Its IUPAC name is 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID170067507
Molecular FormulaC37H29N
Molecular Weight487.65 g/mol
Exact Mass487.23
IUPAC Name9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole
SMILESc1ccc(-n2c3c(c4ccccc42)CCCC3)c(Cc2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C37H29N/c1-8-18-35(38-36-19-9-6-16-32(36)33-17-7-10-20-37(33)38)26(11-1)23-25-21-22-31-29-14-3-2-12-27(29)28-13-4-5-15-30(28)34(31)24-25/h1-6,8-9,11-16,18-19,21-22,24H,7,10,17,20,23H2
InChIKeyGHOFWZONZLAIHM-UHFFFAOYSA-N
XLogP9.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole
CID 138526952
4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
CID 69192503
dicyclohexyl-[2-methoxy-6-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)phenyl]phosphane
CID 118474937
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile
CID 170517456
3-(17-azatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)propanenitrile
CID 125494435
3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)propanenitrile
CID 125494385

Frequently Asked Questions

What is the IUPAC name of 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole (CID 170067507) is 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole is c1ccc(-n2c3c(c4ccccc42)CCCC3)c(Cc2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GHOFWZONZLAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N/c1-8-18-35(38-36-19-9-6-16-32(36)33-17-7-10-20-37(33)38)26(11-1)23-25-21-22-31-29-14-3-2-12-27(29)28-13-4-5-15-30(28)34(31)24-25/h1-6,8-9,11-16,18-19,21-22,24H,7,10,17,20,23H2.
What are the key properties of 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole?
9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 487.65 g/mol, XLogP of 9.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(triphenylen-2-ylmethyl)phenyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 170067507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).