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

C54H34N4S — CID 134431487

IUPAC10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
SMILESc1ccc(-c2cccc(-c3nc(-n4c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C54H34N4S/c1-3-15-35(16-4-1)37-18-13-19-39(33-37)53-43-23-9-10-25-44(43)55-54(56-53)58-47-27-14-24-42(52(47)51-41-22-8-7-17-36(41)29-32-48(51)58)38-30-31-46-50(34-38)59-49-28-12-11-26-45(49)57(46)40-20-5-2-6-21-40/h1-34H
InChIKeyVXECKBFCAAWQGJ-UHFFFAOYSA-N
MW770.96 g/mol
LogP14.82
Rot. Bonds5

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

10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine (PubChem CID 134431487) has the molecular formula C54H34N4S and a molecular weight of 770.96 g/mol. Its IUPAC name is 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
PubChem CID134431487
Molecular FormulaC54H34N4S
Molecular Weight770.96 g/mol
Exact Mass770.25
IUPAC Name10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
SMILESc1ccc(-c2cccc(-c3nc(-n4c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C54H34N4S/c1-3-15-35(16-4-1)37-18-13-19-39(33-37)53-43-23-9-10-25-44(43)55-54(56-53)58-47-27-14-24-42(52(47)51-41-22-8-7-17-36(41)29-32-48(51)58)38-30-31-46-50(34-38)59-49-28-12-11-26-45(49)57(46)40-20-5-2-6-21-40/h1-34H
InChIKeyVXECKBFCAAWQGJ-UHFFFAOYSA-N
XLogP14.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.96
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
3-[7-[4-[4-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]phenyl]quinazolin-2-yl]benzo[c]carbazol-11-yl]-10-phenylphenothiazine
CID 142324504
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
10-phenyl-3-[7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431562
12-[4-[3-(4-phenylphenyl)phenyl]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 118535672
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
CID 134432144

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine?
The IUPAC name of 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine (CID 134431487) is 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine.
What is the SMILES notation for 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine?
The canonical SMILES for 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine is c1ccc(-c2cccc(-c3nc(-n4c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine?
The InChIKey is VXECKBFCAAWQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4S/c1-3-15-35(16-4-1)37-18-13-19-39(33-37)53-43-23-9-10-25-44(43)55-54(56-53)58-47-27-14-24-42(52(47)51-41-22-8-7-17-36(41)29-32-48(51)58)38-30-31-46-50(34-38)59-49-28-12-11-26-45(49)57(46)40-20-5-2-6-21-40/h1-34H.
What are the key properties of 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine?
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine has a molecular weight of 770.96 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine is sourced from PubChem (CID 134431487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).