9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole

C40H27N — CID 123813680

IUPAC9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c2)CC1
InChIInChI=1S/C40H27N/c1-2-11-33-31(9-1)32-10-3-4-12-34(32)38-25-29(20-22-35(33)38)26-17-18-28-24-30(21-19-27(28)23-26)41-39-15-7-5-13-36(39)37-14-6-8-16-40(37)41/h1-5,7-13,15-25H,6,14H2
InChIKeyDSOHUXZBUFRYQZ-UHFFFAOYSA-N
MW521.66 g/mol
LogP10.87
Rot. Bonds2

About 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole (PubChem CID 123813680) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
PubChem CID123813680
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC Name9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c2)CC1
InChIInChI=1S/C40H27N/c1-2-11-33-31(9-1)32-10-3-4-12-34(32)38-25-29(20-22-35(33)38)26-17-18-28-24-30(21-19-27(28)23-26)41-39-15-7-5-13-36(39)37-14-6-8-16-40(37)41/h1-5,7-13,15-25H,6,14H2
InChIKeyDSOHUXZBUFRYQZ-UHFFFAOYSA-N
XLogP10.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 510.87
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-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
CID 118587825
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911

Frequently Asked Questions

What is the IUPAC name of 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole?
The IUPAC name of 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole (CID 123813680) is 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole.
What is the SMILES notation for 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole?
The canonical SMILES for 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2ccc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3c2)CC1.
What is the InChIKey of 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole?
The InChIKey is DSOHUXZBUFRYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-2-11-33-31(9-1)32-10-3-4-12-34(32)38-25-29(20-22-35(33)38)26-17-18-28-24-30(21-19-27(28)23-26)41-39-15-7-5-13-36(39)37-14-6-8-16-40(37)41/h1-5,7-13,15-25H,6,14H2.
What are the key properties of 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole?
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole has a molecular weight of 521.66 g/mol, XLogP of 10.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole is sourced from PubChem (CID 123813680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).