10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine

C62H40N4S — CID 134431562

IUPAC10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6cccc(-c7ccc8c(c7)Sc7ccccc7N8c7ccccc7)c6c6c7ccccc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C62H40N4S/c1-4-16-41(17-5-1)42-30-32-44(33-31-42)52-40-53(64-62(63-52)45-19-6-2-7-20-45)47-21-14-24-49(38-47)66-56-28-15-26-51(61(56)60-50-25-11-10-18-43(50)34-37-57(60)66)46-35-36-55-59(39-46)67-58-29-13-12-27-54(58)65(55)48-22-8-3-9-23-48/h1-40H
InChIKeyKFOORSBQCYRXKI-UHFFFAOYSA-N
MW873.10 g/mol
LogP17.00
Rot. Bonds7

About 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine

10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine (PubChem CID 134431562) has the molecular formula C62H40N4S and a molecular weight of 873.10 g/mol. Its IUPAC name is 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
PubChem CID134431562
Molecular FormulaC62H40N4S
Molecular Weight873.10 g/mol
Exact Mass872.30
IUPAC Name10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6cccc(-c7ccc8c(c7)Sc7ccccc7N8c7ccccc7)c6c6c7ccccc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C62H40N4S/c1-4-16-41(17-5-1)42-30-32-44(33-31-42)52-40-53(64-62(63-52)45-19-6-2-7-20-45)47-21-14-24-49(38-47)66-56-28-15-26-51(61(56)60-50-25-11-10-18-43(50)34-37-57(60)66)46-35-36-55-59(39-46)67-58-29-13-12-27-54(58)65(55)48-22-8-3-9-23-48/h1-40H
InChIKeyKFOORSBQCYRXKI-UHFFFAOYSA-N
XLogP17.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.10
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-10-yl]phenothiazine
CID 134431820
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
12-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-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 122551002
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
10-phenyl-3-[7-[5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]cyclohexa-1,3-dien-1-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431245
12-[5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-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;12-[3-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]-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;12-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-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 163717602
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine?
The IUPAC name of 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine (CID 134431562) is 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine.
What is the SMILES notation for 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine?
The canonical SMILES for 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine is c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6cccc(-c7ccc8c(c7)Sc7ccccc7N8c7ccccc7)c6c6c7ccccc7ccc65)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine?
The InChIKey is KFOORSBQCYRXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4S/c1-4-16-41(17-5-1)42-30-32-44(33-31-42)52-40-53(64-62(63-52)45-19-6-2-7-20-45)47-21-14-24-49(38-47)66-56-28-15-26-51(61(56)60-50-25-11-10-18-43(50)34-37-57(60)66)46-35-36-55-59(39-46)67-58-29-13-12-27-54(58)65(55)48-22-8-3-9-23-48/h1-40H.
What are the key properties of 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine?
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine has a molecular weight of 873.10 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine is sourced from PubChem (CID 134431562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).