5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole

C30H22N4 — CID 102503171

IUPAC5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2ccccc2n4Cc2ccccn2)nc1
InChIInChI=1S/C30H22N4/c1-3-13-27-23(11-1)25-17-30-26(18-29(25)33(27)19-21-9-5-7-15-31-21)24-12-2-4-14-28(24)34(30)20-22-10-6-8-16-32-22/h1-18H,19-20H2
InChIKeyINTQZZHHWNQSIR-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.79
Rot. Bonds4

About 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole

5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole (PubChem CID 102503171) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
PubChem CID102503171
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC Name5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2ccccc2n4Cc2ccccn2)nc1
InChIInChI=1S/C30H22N4/c1-3-13-27-23(11-1)25-17-30-26(18-29(25)33(27)19-21-9-5-7-15-31-21)24-12-2-4-14-28(24)34(30)20-22-10-6-8-16-32-22/h1-18H,19-20H2
InChIKeyINTQZZHHWNQSIR-UHFFFAOYSA-N
XLogP6.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile
CID 121337972
6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522273
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522628
4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191896
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
1-[4-(methylamino)butyl]-3-(pyridin-2-ylmethyl)benzimidazol-2-one
CID 21273540
5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
CID 102414026

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole (CID 102503171) is 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole is c1ccc(Cn2c3ccccc3c3cc4c(cc32)c2ccccc2n4Cc2ccccn2)nc1.
What is the InChIKey of 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole?
The InChIKey is INTQZZHHWNQSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c1-3-13-27-23(11-1)25-17-30-26(18-29(25)33(27)19-21-9-5-7-15-31-21)24-12-2-4-14-28(24)34(30)20-22-10-6-8-16-32-22/h1-18H,19-20H2.
What are the key properties of 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole?
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole has a molecular weight of 438.53 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 102503171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).