3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole

C50H43N5 — CID 141425954

IUPAC3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole
SMILESCC1=C(c2cccc3c2[nH]c2ccccc23)C(C)(c2ccc[nH]2)C(C)(C)c2[nH]c3c(-c4cc5ccccc5[nH]4)c(C)c(C)c(-c4cc5ccccc5[nH]4)c3c21
InChIInChI=1S/C50H43N5/c1-27-28(2)42(39-26-31-16-8-11-21-36(31)53-39)47-44(41(27)38-25-30-15-7-10-20-35(30)52-38)43-29(3)45(50(6,40-23-14-24-51-40)49(4,5)48(43)55-47)34-19-13-18-33-32-17-9-12-22-37(32)54-46(33)34/h7-26,51-55H,1-6H3
InChIKeyIVSLJLMFYLHPNQ-UHFFFAOYSA-N
MW713.93 g/mol
LogP13.22
Rot. Bonds4

About 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole

3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole (PubChem CID 141425954) has the molecular formula C50H43N5 and a molecular weight of 713.93 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole
PubChem CID141425954
Molecular FormulaC50H43N5
Molecular Weight713.93 g/mol
Exact Mass713.35
IUPAC Name3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole
SMILESCC1=C(c2cccc3c2[nH]c2ccccc23)C(C)(c2ccc[nH]2)C(C)(C)c2[nH]c3c(-c4cc5ccccc5[nH]4)c(C)c(C)c(-c4cc5ccccc5[nH]4)c3c21
InChIInChI=1S/C50H43N5/c1-27-28(2)42(39-26-31-16-8-11-21-36(31)53-39)47-44(41(27)38-25-30-15-7-10-20-35(30)52-38)43-29(3)45(50(6,40-23-14-24-51-40)49(4,5)48(43)55-47)34-19-13-18-33-32-17-9-12-22-37(32)54-46(33)34/h7-26,51-55H,1-6H3
InChIKeyIVSLJLMFYLHPNQ-UHFFFAOYSA-N
XLogP13.22
TPSA78.95 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.93
LogP ≤ 513.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 100

Analyze 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole with MolForge

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Related Compounds

1,7-Bis-(1H-indol-5-yl)-isoquinoline
CID 53379481
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole
CID 258058
3-[2-[4-[2-ethyl-4-[5-ethyl-1-(2-methyl-5-propan-2-ylphenyl)triazol-4-yl]phenyl]triazol-1-yl]ethyl]-1H-indole
CID 46902875
3-[5-(1,5-dimethylindol-3-yl)-1H-pyrrol-2-yl]-1,5-dimethylindole
CID 164619156
Caulindole A
CID 641752
5-[(E)-2-[(1R,2R)-2-(1H-indol-5-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]-1H-indole
CID 11210803
5-[(E)-2-[(1R,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole
CID 11260599
5-[(E)-2-[(1S,2R)-1,4-dimethyl-2-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]cyclohex-3-en-1-yl]ethenyl]-3-(2-methylbut-3-en-2-yl)-1H-indole
CID 11443468
4-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]iminomethyl]-N,N-dimethylaniline
CID 1648764
3-[[4-[bis(5-cyano-1H-indol-3-yl)methyl]phenyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 57326787
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035572

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole?
The IUPAC name of 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole (CID 141425954) is 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole.
What is the SMILES notation for 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole?
The canonical SMILES for 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole is CC1=C(c2cccc3c2[nH]c2ccccc23)C(C)(c2ccc[nH]2)C(C)(C)c2[nH]c3c(-c4cc5ccccc5[nH]4)c(C)c(C)c(-c4cc5ccccc5[nH]4)c3c21.
What is the InChIKey of 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole?
The InChIKey is IVSLJLMFYLHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N5/c1-27-28(2)42(39-26-31-16-8-11-21-36(31)53-39)47-44(41(27)38-25-30-15-7-10-20-35(30)52-38)43-29(3)45(50(6,40-23-14-24-51-40)49(4,5)48(43)55-47)34-19-13-18-33-32-17-9-12-22-37(32)54-46(33)34/h7-26,51-55H,1-6H3.
What are the key properties of 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole?
3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole has a molecular weight of 713.93 g/mol, XLogP of 13.22, 4 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-1-yl)-5,8-bis(1H-indol-2-yl)-1,1,2,4,6,7-hexamethyl-2-(1H-pyrrol-2-yl)-9H-carbazole is sourced from PubChem (CID 141425954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).