2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline

C56H34N4S — CID 131998698

IUPAC2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline
SMILESc1ccc(-c2cc3ccc4nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6c7ccccc7ccc65)nc(-c5ccccc5)c4c3s2)cc1
InChIInChI=1S/C56H34N4S/c1-4-15-36(16-5-1)51-34-40-24-28-46-53(55(40)61-51)54(37-17-6-2-7-18-37)58-56(57-46)60-49-30-27-39(33-45(49)52-42-21-11-10-14-35(42)25-31-50(52)60)38-26-29-48-44(32-38)43-22-12-13-23-47(43)59(48)41-19-8-3-9-20-41/h1-34H
InChIKeyNKKRYBHEUXWFDE-UHFFFAOYSA-N
MW794.98 g/mol
LogP15.19
Rot. Bonds5

About 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline

2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline (PubChem CID 131998698) has the molecular formula C56H34N4S and a molecular weight of 794.98 g/mol. Its IUPAC name is 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline.

Molecular Properties

Compound Name2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline
PubChem CID131998698
Molecular FormulaC56H34N4S
Molecular Weight794.98 g/mol
Exact Mass794.25
IUPAC Name2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline
SMILESc1ccc(-c2cc3ccc4nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6c7ccccc7ccc65)nc(-c5ccccc5)c4c3s2)cc1
InChIInChI=1S/C56H34N4S/c1-4-15-36(16-5-1)51-34-40-24-28-46-53(55(40)61-51)54(37-17-6-2-7-18-37)58-56(57-46)60-49-30-27-39(33-45(49)52-42-21-11-10-14-35(42)25-31-50(52)60)38-26-29-48-44(32-38)43-22-12-13-23-47(43)59(48)41-19-8-3-9-20-41/h1-34H
InChIKeyNKKRYBHEUXWFDE-UHFFFAOYSA-N
XLogP15.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.98
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-5-[9-(1-phenylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301130
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
N,N-diphenyl-4-[6-phenyl-2-[10-(9-phenylcarbazol-4-yl)benzo[c]carbazol-7-yl]thieno[3,2-d]pyrimidin-4-yl]aniline
CID 145381034
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 147850713
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
15-[10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297370
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692460

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline?
The IUPAC name of 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline (CID 131998698) is 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline.
What is the SMILES notation for 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline?
The canonical SMILES for 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline is c1ccc(-c2cc3ccc4nc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6c7ccccc7ccc65)nc(-c5ccccc5)c4c3s2)cc1.
What is the InChIKey of 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline?
The InChIKey is NKKRYBHEUXWFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S/c1-4-15-36(16-5-1)51-34-40-24-28-46-53(55(40)61-51)54(37-17-6-2-7-18-37)58-56(57-46)60-49-30-27-39(33-45(49)52-42-21-11-10-14-35(42)25-31-50(52)60)38-26-29-48-44(32-38)43-22-12-13-23-47(43)59(48)41-19-8-3-9-20-41/h1-34H.
What are the key properties of 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline?
2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline has a molecular weight of 794.98 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline is sourced from PubChem (CID 131998698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).