6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline

C42H33N5O — CID 162771944

IUPAC6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
SMILESCc1cc(C)c(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3Cn4ccnc4-c4ccccc43)c2)c(C)c1
InChIInChI=1S/C42H33N5O/c1-27-20-28(2)41(29(3)21-27)30-22-31(46-26-45-19-18-44-42(45)36-11-5-6-12-37(36)46)24-33(23-30)48-32-15-16-35-34-10-4-7-13-38(34)47(39(35)25-32)40-14-8-9-17-43-40/h4-25H,26H2,1-3H3
InChIKeyMMKLZWWTKJZEDA-UHFFFAOYSA-N
MW623.76 g/mol
LogP10.54
Rot. Bonds5

About 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline

6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline (PubChem CID 162771944) has the molecular formula C42H33N5O and a molecular weight of 623.76 g/mol. Its IUPAC name is 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
PubChem CID162771944
Molecular FormulaC42H33N5O
Molecular Weight623.76 g/mol
Exact Mass623.27
IUPAC Name6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
SMILESCc1cc(C)c(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3Cn4ccnc4-c4ccccc43)c2)c(C)c1
InChIInChI=1S/C42H33N5O/c1-27-20-28(2)41(29(3)21-27)30-22-31(46-26-45-19-18-44-42(45)36-11-5-6-12-37(36)46)24-33(23-30)48-32-15-16-35-34-10-4-7-13-38(34)47(39(35)25-32)40-14-8-9-17-43-40/h4-25H,26H2,1-3H3
InChIKeyMMKLZWWTKJZEDA-UHFFFAOYSA-N
XLogP10.54
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771936
2-[3-[5,6-dimethyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606545
6-[3-(3,4,5,6,7,8-hexadeuterio-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162772107
2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172533939
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 163570971

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline?
The IUPAC name of 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline (CID 162771944) is 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline is Cc1cc(C)c(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3Cn4ccnc4-c4ccccc43)c2)c(C)c1.
What is the InChIKey of 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline?
The InChIKey is MMKLZWWTKJZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5O/c1-27-20-28(2)41(29(3)21-27)30-22-31(46-26-45-19-18-44-42(45)36-11-5-6-12-37(36)46)24-33(23-30)48-32-15-16-35-34-10-4-7-13-38(34)47(39(35)25-32)40-14-8-9-17-43-40/h4-25H,26H2,1-3H3.
What are the key properties of 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline?
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline has a molecular weight of 623.76 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline is sourced from PubChem (CID 162771944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).