6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C36H28N4 — CID 134509139

IUPAC6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1
InChIInChI=1S/C36H28N4/c1-36(2,3)25-19-16-23(17-20-25)24-18-21-27-26-10-5-8-14-31(26)39(33(27)22-24)35-38-29-12-6-4-11-28(29)34-37-30-13-7-9-15-32(30)40(34)35/h4-22H,1-3H3
InChIKeyZZANGNCLLAHJDY-UHFFFAOYSA-N
MW516.65 g/mol
LogP9.10
Rot. Bonds2

About 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134509139) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134509139
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC Name6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1
InChIInChI=1S/C36H28N4/c1-36(2,3)25-19-16-23(17-20-25)24-18-21-27-26-10-5-8-14-31(26)39(33(27)22-24)35-38-29-12-6-4-11-28(29)34-37-30-13-7-9-15-32(30)40(34)35/h4-22H,1-3H3
InChIKeyZZANGNCLLAHJDY-UHFFFAOYSA-N
XLogP9.10
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509137
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-[3-(4-pyridin-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508747
9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-bis(4-phenylphenyl)carbazol-2-amine;4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-N,N-diphenylaniline;N-[4-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 160751175
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
6-[2-bis(4-phenylphenyl)phosphorylcarbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509181

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134509139) is 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is CC(C)(C)c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1.
What is the InChIKey of 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is ZZANGNCLLAHJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-36(2,3)25-19-16-23(17-20-25)24-18-21-27-26-10-5-8-14-31(26)39(33(27)22-24)35-38-29-12-6-4-11-28(29)34-37-30-13-7-9-15-32(30)40(34)35/h4-22H,1-3H3.
What are the key properties of 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 516.65 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).