6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline

C37H31N5O — CID 162771880

IUPAC6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
SMILESCC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2Cn3ccnc3-c3ccccc32)c1
InChIInChI=1S/C37H31N5O/c1-37(2,3)25-20-26(41-24-40-19-18-39-36(40)31-11-5-6-12-32(31)41)22-28(21-25)43-27-15-16-30-29-10-4-7-13-33(29)42(34(30)23-27)35-14-8-9-17-38-35/h4-23H,24H2,1-3H3
InChIKeySINUTPBMLCUAQD-UHFFFAOYSA-N
MW561.69 g/mol
LogP9.24
Rot. Bonds4

About 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline

6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline (PubChem CID 162771880) has the molecular formula C37H31N5O and a molecular weight of 561.69 g/mol. Its IUPAC name is 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
PubChem CID162771880
Molecular FormulaC37H31N5O
Molecular Weight561.69 g/mol
Exact Mass561.25
IUPAC Name6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
SMILESCC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2Cn3ccnc3-c3ccccc32)c1
InChIInChI=1S/C37H31N5O/c1-37(2,3)25-20-26(41-24-40-19-18-39-36(40)31-11-5-6-12-32(31)41)22-28(21-25)43-27-15-16-30-29-10-4-7-13-33(29)42(34(30)23-27)35-14-8-9-17-38-35/h4-23H,24H2,1-3H3
InChIKeySINUTPBMLCUAQD-UHFFFAOYSA-N
XLogP9.24
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771936
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
5-[3-tert-butyl-5-[9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771930
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
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-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(3-methylpentan-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651139
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(3,5-ditert-butylphenoxy)-2-pyridinyl]carbazole
CID 170671539
2-[3-tert-butyl-5-[3-(3,5-diphenylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651750
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
2,7-bis[3-tert-butyl-5-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 170672566

Frequently Asked Questions

What is the IUPAC name of 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
The IUPAC name of 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline (CID 162771880) is 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline.
What is the SMILES notation for 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
The canonical SMILES for 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline is CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2Cn3ccnc3-c3ccccc32)c1.
What is the InChIKey of 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
The InChIKey is SINUTPBMLCUAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N5O/c1-37(2,3)25-20-26(41-24-40-19-18-39-36(40)31-11-5-6-12-32(31)41)22-28(21-25)43-27-15-16-30-29-10-4-7-13-33(29)42(34(30)23-27)35-14-8-9-17-38-35/h4-23H,24H2,1-3H3.
What are the key properties of 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline?
6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline has a molecular weight of 561.69 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline is sourced from PubChem (CID 162771880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).