ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole

C37H31N3 — CID 144976551

IUPACethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole
SMILESC1=Cc2c(c3c(-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)cccc3n2-c2ccccc2)CC1.CC
InChIInChI=1S/C35H25N3.C2H6/c1-3-11-25(12-4-1)37-31-18-8-7-15-29(31)34-27(16-9-19-33(34)37)24-20-21-32-30(23-24)28-17-10-22-36-35(28)38(32)26-13-5-2-6-14-26;1-2/h1-6,8-14,16-23H,7,15H2;1-2H3
InChIKeyASNBTUZWOZEQOT-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.78
Rot. Bonds3

About ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole

ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole (PubChem CID 144976551) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Nameethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole
PubChem CID144976551
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC Nameethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole
SMILESC1=Cc2c(c3c(-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)cccc3n2-c2ccccc2)CC1.CC
InChIInChI=1S/C35H25N3.C2H6/c1-3-11-25(12-4-1)37-31-18-8-7-15-29(31)34-27(16-9-19-33(34)37)24-20-21-32-30(23-24)28-17-10-22-36-35(28)38(32)26-13-5-2-6-14-26;1-2/h1-6,8-14,16-23H,7,15H2;1-2H3
InChIKeyASNBTUZWOZEQOT-UHFFFAOYSA-N
XLogP9.78
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]carbazole
CID 139456072
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985
3-[6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indol-9-yl]benzonitrile
CID 132917496
9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158404712
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158281604
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 167285061

Frequently Asked Questions

What is the IUPAC name of ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole?
The IUPAC name of ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole (CID 144976551) is ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole.
What is the SMILES notation for ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole?
The canonical SMILES for ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole is C1=Cc2c(c3c(-c4ccc5c(c4)c4cccnc4n5-c4ccccc4)cccc3n2-c2ccccc2)CC1.CC.
What is the InChIKey of ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole?
The InChIKey is ASNBTUZWOZEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3.C2H6/c1-3-11-25(12-4-1)37-31-18-8-7-15-29(31)34-27(16-9-19-33(34)37)24-20-21-32-30(23-24)28-17-10-22-36-35(28)38(32)26-13-5-2-6-14-26;1-2/h1-6,8-14,16-23H,7,15H2;1-2H3.
What are the key properties of ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole?
ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole has a molecular weight of 517.68 g/mol, XLogP of 9.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 144976551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).