2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole

C32H26N4 — CID 67988496

IUPAC2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
SMILESCC(C)(C)c1ccc2c(n1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C32H26N4/c1-32(2,3)29-18-17-28-31(34-29)24-13-5-7-15-26(24)36(28)22-11-8-10-21(20-22)35-25-14-6-4-12-23(25)30-27(35)16-9-19-33-30/h4-20H,1-3H3
InChIKeyYUQILSVMVNBKOD-UHFFFAOYSA-N
MW466.59 g/mol
LogP7.97
Rot. Bonds2

About 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole

2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole (PubChem CID 67988496) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
PubChem CID67988496
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC Name2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
SMILESCC(C)(C)c1ccc2c(n1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C32H26N4/c1-32(2,3)29-18-17-28-31(34-29)24-13-5-7-15-26(24)36(28)22-11-8-10-21(20-22)35-25-14-6-4-12-23(25)30-27(35)16-9-19-33-30/h4-20H,1-3H3
InChIKeyYUQILSVMVNBKOD-UHFFFAOYSA-N
XLogP7.97
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole
CID 139496482
8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 118000291
diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane
CID 90193795
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
5-[3-(2-tert-butyl-4,4-dimethylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 163906260
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
1-[3-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]phenyl]tetrazole-5-thiol
CID 137305760
5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 143647877
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole?
The IUPAC name of 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole (CID 67988496) is 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole.
What is the SMILES notation for 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole?
The canonical SMILES for 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole is CC(C)(C)c1ccc2c(n1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole?
The InChIKey is YUQILSVMVNBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4/c1-32(2,3)29-18-17-28-31(34-29)24-13-5-7-15-26(24)36(28)22-11-8-10-21(20-22)35-25-14-6-4-12-23(25)30-27(35)16-9-19-33-30/h4-20H,1-3H3.
What are the key properties of 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole?
2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole has a molecular weight of 466.59 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 67988496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).