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

C41H33N5O — CID 162771936

IUPAC5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2Cn3c(nc4ccccc43)-c3ccccc32)c1
InChIInChI=1S/C41H33N5O/c1-41(2,3)27-22-28(44-26-45-37-17-9-6-14-34(37)43-40(45)33-13-5-7-15-35(33)44)24-30(23-27)47-29-19-20-32-31-12-4-8-16-36(31)46(38(32)25-29)39-18-10-11-21-42-39/h4-25H,26H2,1-3H3
InChIKeyXSXPLAPUXHNZIF-UHFFFAOYSA-N
MW611.75 g/mol
LogP10.39
Rot. Bonds4

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

5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 162771936) has the molecular formula C41H33N5O and a molecular weight of 611.75 g/mol. Its IUPAC name is 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID162771936
Molecular FormulaC41H33N5O
Molecular Weight611.75 g/mol
Exact Mass611.27
IUPAC Name5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2Cn3c(nc4ccccc43)-c3ccccc32)c1
InChIInChI=1S/C41H33N5O/c1-41(2,3)27-22-28(44-26-45-37-17-9-6-14-34(37)43-40(45)33-13-5-7-15-35(33)44)24-30(23-27)47-29-19-20-32-31-12-4-8-16-36(31)46(38(32)25-29)39-18-10-11-21-42-39/h4-25H,26H2,1-3H3
InChIKeyXSXPLAPUXHNZIF-UHFFFAOYSA-N
XLogP10.39
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
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-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
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
2,7-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
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
2-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)phenoxy]-4-phenyl-9-pyridin-2-ylcarbazole
CID 155606709
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-tert-butyl-5-[3-(3-tert-butyl-4-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651286

Frequently Asked Questions

What is the IUPAC name of 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline (CID 162771936) is 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline is CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2Cn3c(nc4ccccc43)-c3ccccc32)c1.
What is the InChIKey of 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is XSXPLAPUXHNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N5O/c1-41(2,3)27-22-28(44-26-45-37-17-9-6-14-34(37)43-40(45)33-13-5-7-15-35(33)44)24-30(23-27)47-29-19-20-32-31-12-4-8-16-36(31)46(38(32)25-29)39-18-10-11-21-42-39/h4-25H,26H2,1-3H3.
What are the key properties of 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline?
5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 611.75 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 162771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).