10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine

C54H34N4S — CID 134431717

IUPAC10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4S/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-43-19-9-10-20-45(43)55-54(56-53)58-48-32-28-37-15-7-8-18-42(37)52(48)44-30-27-39(33-49(44)58)40-29-31-47-51(34-40)59-50-22-12-11-21-46(50)57(47)41-16-5-2-6-17-41/h1-34H
InChIKeyGCXWDWYYUJBBAU-UHFFFAOYSA-N
MW770.96 g/mol
LogP14.82
Rot. Bonds5

About 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine

10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine (PubChem CID 134431717) has the molecular formula C54H34N4S and a molecular weight of 770.96 g/mol. Its IUPAC name is 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine.

Molecular Properties

Compound Name10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
PubChem CID134431717
Molecular FormulaC54H34N4S
Molecular Weight770.96 g/mol
Exact Mass770.25
IUPAC Name10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4S/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-43-19-9-10-20-45(43)55-54(56-53)58-48-32-28-37-15-7-8-18-42(37)52(48)44-30-27-39(33-49(44)58)40-29-31-47-51(34-40)59-50-22-12-11-21-46(50)57(47)41-16-5-2-6-17-41/h1-34H
InChIKeyGCXWDWYYUJBBAU-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-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
CID 134432144
10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine?
The IUPAC name of 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine (CID 134431717) is 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine.
What is the SMILES notation for 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine?
The canonical SMILES for 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine is c1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine?
The InChIKey is GCXWDWYYUJBBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4S/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-43-19-9-10-20-45(43)55-54(56-53)58-48-32-28-37-15-7-8-18-42(37)52(48)44-30-27-39(33-49(44)58)40-29-31-47-51(34-40)59-50-22-12-11-21-46(50)57(47)41-16-5-2-6-17-41/h1-34H.
What are the key properties of 10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine?
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-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-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine is sourced from PubChem (CID 134431717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).