5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole

C43H36N4 — CID 177091165

IUPAC5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole
SMILESCC12CCCCC1(C)N(c1ccc3c(c1)c1ccccc1n3-c1cccc3c1c1ccccc1n3-c1ccccc1)c1cccnc12
InChIInChI=1S/C43H36N4/c1-42-25-10-11-26-43(42,2)47(39-22-13-27-44-41(39)42)30-23-24-36-33(28-30)31-16-6-8-18-34(31)46(36)38-21-12-20-37-40(38)32-17-7-9-19-35(32)45(37)29-14-4-3-5-15-29/h3-9,12-24,27-28H,10-11,25-26H2,1-2H3
InChIKeyZIONWTNLWKLRLM-UHFFFAOYSA-N
MW608.79 g/mol
LogP11.02
Rot. Bonds3

About 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole

5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole (PubChem CID 177091165) has the molecular formula C43H36N4 and a molecular weight of 608.79 g/mol. Its IUPAC name is 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole.

Molecular Properties

Compound Name5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole
PubChem CID177091165
Molecular FormulaC43H36N4
Molecular Weight608.79 g/mol
Exact Mass608.29
IUPAC Name5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole
SMILESCC12CCCCC1(C)N(c1ccc3c(c1)c1ccccc1n3-c1cccc3c1c1ccccc1n3-c1ccccc1)c1cccnc12
InChIInChI=1S/C43H36N4/c1-42-25-10-11-26-43(42,2)47(39-22-13-27-44-41(39)42)30-23-24-36-33(28-30)31-16-6-8-18-34(31)46(36)38-21-12-20-37-40(38)32-17-7-9-19-35(32)45(37)29-14-4-3-5-15-29/h3-9,12-24,27-28H,10-11,25-26H2,1-2H3
InChIKeyZIONWTNLWKLRLM-UHFFFAOYSA-N
XLogP11.02
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848581
9-[3-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-3,6-ditert-butylcarbazole
CID 166014727
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
[3-[3-(5a,9a-dimethyl-6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl)carbazol-9-yl]-2,4,5,6-tetradeuteriophenyl]-tris(2,3,4,5,6-pentadeuteriophenyl)silane
CID 177091141
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312

Frequently Asked Questions

What is the IUPAC name of 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole?
The IUPAC name of 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole (CID 177091165) is 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole.
What is the SMILES notation for 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole?
The canonical SMILES for 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole is CC12CCCCC1(C)N(c1ccc3c(c1)c1ccccc1n3-c1cccc3c1c1ccccc1n3-c1ccccc1)c1cccnc12.
What is the InChIKey of 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole?
The InChIKey is ZIONWTNLWKLRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N4/c1-42-25-10-11-26-43(42,2)47(39-22-13-27-44-41(39)42)30-23-24-36-33(28-30)31-16-6-8-18-34(31)46(36)38-21-12-20-37-40(38)32-17-7-9-19-35(32)45(37)29-14-4-3-5-15-29/h3-9,12-24,27-28H,10-11,25-26H2,1-2H3.
What are the key properties of 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole?
5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole has a molecular weight of 608.79 g/mol, XLogP of 11.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,9a-dimethyl-5-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-6,7,8,9-tetrahydropyrido[3,2-b]indole is sourced from PubChem (CID 177091165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).