3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole

C39H27N3 — CID 118587825

IUPAC3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
SMILESC1=Cc2c(c3ccc(-c4cnc5c6ccccc6n(-c6ccccc6)c5c4)cc3n2-c2ccc3ccccc3c2)CC1
InChIInChI=1S/C39H27N3/c1-2-12-30(13-3-1)41-36-17-9-7-15-34(36)39-38(41)24-29(25-40-39)28-19-21-33-32-14-6-8-16-35(32)42(37(33)23-28)31-20-18-26-10-4-5-11-27(26)22-31/h1-5,7-13,15-25H,6,14H2
InChIKeyHKEOMYZVGJGINR-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.90
Rot. Bonds3

About 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole

3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole (PubChem CID 118587825) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
PubChem CID118587825
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
SMILESC1=Cc2c(c3ccc(-c4cnc5c6ccccc6n(-c6ccccc6)c5c4)cc3n2-c2ccc3ccccc3c2)CC1
InChIInChI=1S/C39H27N3/c1-2-12-30(13-3-1)41-36-17-9-7-15-34(36)39-38(41)24-29(25-40-39)28-19-21-33-32-14-6-8-16-35(32)42(37(33)23-28)31-20-18-26-10-4-5-11-27(26)22-31/h1-5,7-13,15-25H,6,14H2
InChIKeyHKEOMYZVGJGINR-UHFFFAOYSA-N
XLogP9.90
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
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

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole (CID 118587825) is 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole is C1=Cc2c(c3ccc(-c4cnc5c6ccccc6n(-c6ccccc6)c5c4)cc3n2-c2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole?
The InChIKey is HKEOMYZVGJGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-2-12-30(13-3-1)41-36-17-9-7-15-34(36)39-38(41)24-29(25-40-39)28-19-21-33-32-14-6-8-16-35(32)42(37(33)23-28)31-20-18-26-10-4-5-11-27(26)22-31/h1-5,7-13,15-25H,6,14H2.
What are the key properties of 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole?
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole has a molecular weight of 537.67 g/mol, XLogP of 9.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 118587825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).