7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine

C52H32N2S — CID 155791183

IUPAC7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine
SMILESc1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)Sc2c(ccc5ccccc25)N4c2cccc4ccccc24)ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C52H32N2S/c1-2-15-37-31-50-44(29-36(37)14-1)43-30-38(24-26-47(43)53(50)45-21-9-16-33-11-3-6-18-40(33)45)39-25-27-48-51(32-39)55-52-42-20-8-5-13-35(42)23-28-49(52)54(48)46-22-10-17-34-12-4-7-19-41(34)46/h1-32H
InChIKeyGWRQIPXGHJRTSG-UHFFFAOYSA-N
MW716.91 g/mol
LogP15.00
Rot. Bonds3

About 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine

7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine (PubChem CID 155791183) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine.

Molecular Properties

Compound Name7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine
PubChem CID155791183
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine
SMILESc1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)Sc2c(ccc5ccccc25)N4c2cccc4ccccc24)ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C52H32N2S/c1-2-15-37-31-50-44(29-36(37)14-1)43-30-38(24-26-47(43)53(50)45-21-9-16-33-11-3-6-18-40(33)45)39-25-27-48-51(32-39)55-52-42-20-8-5-13-35(42)23-28-49(52)54(48)46-22-10-17-34-12-4-7-19-41(34)46/h1-32H
InChIKeyGWRQIPXGHJRTSG-UHFFFAOYSA-N
XLogP15.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine?
The IUPAC name of 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine (CID 155791183) is 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine.
What is the SMILES notation for 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine?
The canonical SMILES for 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine is c1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)Sc2c(ccc5ccccc25)N4c2cccc4ccccc24)ccc1n3-c1cccc2ccccc12.
What is the InChIKey of 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine?
The InChIKey is GWRQIPXGHJRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-15-37-31-50-44(29-36(37)14-1)43-30-38(24-26-47(43)53(50)45-21-9-16-33-11-3-6-18-40(33)45)39-25-27-48-51(32-39)55-52-42-20-8-5-13-35(42)23-28-49(52)54(48)46-22-10-17-34-12-4-7-19-41(34)46/h1-32H.
What are the key properties of 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine?
7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine has a molecular weight of 716.91 g/mol, XLogP of 15.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-10-(5-naphthalen-1-ylbenzo[b]carbazol-2-yl)benzo[c]phenothiazine is sourced from PubChem (CID 155791183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).