6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

C48H28N4S — CID 134508832

IUPAC6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cccc4c3c2)cc1
InChIInChI=1S/C48H28N4S/c1-2-11-29(12-3-1)31-23-26-44-37(27-31)35-17-10-16-34(46(35)53-44)32-22-24-41-38(28-32)45-33-14-5-4-13-30(33)21-25-43(45)51(41)48-50-39-18-7-6-15-36(39)47-49-40-19-8-9-20-42(40)52(47)48/h1-28H
InChIKeyGTNODJMRQRHPBI-UHFFFAOYSA-N
MW692.85 g/mol
LogP12.99
Rot. Bonds3

About 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline

6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508832) has the molecular formula C48H28N4S and a molecular weight of 692.85 g/mol. Its IUPAC name is 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508832
Molecular FormulaC48H28N4S
Molecular Weight692.85 g/mol
Exact Mass692.20
IUPAC Name6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cccc4c3c2)cc1
InChIInChI=1S/C48H28N4S/c1-2-11-29(12-3-1)31-23-26-44-37(27-31)35-17-10-16-34(46(35)53-44)32-22-24-41-38(28-32)45-33-14-5-4-13-30(33)21-25-43(45)51(41)48-50-39-18-7-6-15-36(39)47-49-40-19-8-9-20-42(40)52(47)48/h1-28H
InChIKeyGTNODJMRQRHPBI-UHFFFAOYSA-N
XLogP12.99
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[7-(benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]dibenzofuran-1-yl]-6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513658
6-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134508826
6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
CID 134508829
6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134508875
6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzofuran-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(4-dibenzothiophen-3-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 162160682
6-[10-[3-(2,6-diphenyl-4-pyridinyl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 160667833
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
6-[10-[3,5-di(carbazol-9-yl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline;6-[10-[9-(4-phenylphenyl)carbazol-2-yl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 160944711
6-(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
CID 134508838
14-(3-dibenzothiophen-4-ylphenyl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(4-dibenzothiophen-2-ylphenyl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-[4-(9-phenylcarbazol-3-yl)phenyl]-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 157268753
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704

Frequently Asked Questions

What is the IUPAC name of 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline (CID 134508832) is 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2ccc3sc4c(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5nc6ccccc6c6nc7ccccc7n56)cccc4c3c2)cc1.
What is the InChIKey of 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is GTNODJMRQRHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4S/c1-2-11-29(12-3-1)31-23-26-44-37(27-31)35-17-10-16-34(46(35)53-44)32-22-24-41-38(28-32)45-33-14-5-4-13-30(33)21-25-43(45)51(41)48-50-39-18-7-6-15-36(39)47-49-40-19-8-9-20-42(40)52(47)48/h1-28H.
What are the key properties of 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline?
6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 692.85 g/mol, XLogP of 12.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(8-phenyldibenzothiophen-4-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).