10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine

C54H35N3S2 — CID 137467162

IUPAC10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
SMILESc1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C54H35N3S2/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57/h1-35H
InChIKeyWGIRQFVCGDYQCE-UHFFFAOYSA-N
MW790.03 g/mol
LogP15.99
Rot. Bonds5

About 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine

10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine (PubChem CID 137467162) has the molecular formula C54H35N3S2 and a molecular weight of 790.03 g/mol. Its IUPAC name is 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
PubChem CID137467162
Molecular FormulaC54H35N3S2
Molecular Weight790.03 g/mol
Exact Mass789.23
IUPAC Name10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
SMILESc1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C54H35N3S2/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57/h1-35H
InChIKeyWGIRQFVCGDYQCE-UHFFFAOYSA-N
XLogP15.99
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.03
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
3,6-bis(4-carbazol-9-ylphenyl)-9-methylcarbazole;3-(4-carbazol-9-ylphenyl)-9-methylcarbazole;10-methyl-3,7-bis(9-phenylcarbazol-3-yl)phenothiazine;10-methyl-3,7-bis(10-phenylphenothiazin-3-yl)phenothiazine;3-[9-methyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-phenylphenothiazine;10-methyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine
CID 159664393
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
3,7-bis(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methylphenothiazine;3-(4-carbazol-9-ylphenyl)-10-methyl-7-(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3,7-bis(4-phenothiazin-10-ylphenyl)phenothiazine;10-methyl-3-(4-phenothiazin-10-ylphenyl)phenothiazine
CID 159482320
3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 161232958
10-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenothiazine;3-carbazol-9-yl-10-methylphenothiazine;3-carbazol-9-yl-10-methyl-7-phenothiazin-10-ylphenothiazine;3,7-di(carbazol-9-yl)-10-methylphenothiazine;9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;10-(9-methylcarbazol-3-yl)phenothiazine;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;10-methyl-3,7-di(phenothiazin-10-yl)phenothiazine;10-(9-methyl-6-phenothiazin-10-ylcarbazol-3-yl)phenothiazine;3-(10-methylphenothiazin-3-yl)-10-phenylphenothiazine
CID 159798260
4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795212
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
6-methyl-19,46,63-triphenyl-6,19,46,63-tetrazatetradecacyclo[49.2.2.22,5.27,10.211,14.215,18.220,23.224,27.238,41.242,45.247,50.128,32.131,34.133,37]hexaheptaconta-1(54),2(76),3,5(75),7,9,11,13,15,17,20,22,24,26,28(64),29,31,33,35,37(62),38(61),39,41(60),42(59),43,45(58),47(57),48,50(56),51(55),52,65,67,69,71,73-hexatriacontaene
CID 134370605
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine?
The IUPAC name of 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine (CID 137467162) is 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine?
The canonical SMILES for 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine is c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine?
The InChIKey is WGIRQFVCGDYQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S2/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57/h1-35H.
What are the key properties of 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine?
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine has a molecular weight of 790.03 g/mol, XLogP of 15.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine is sourced from PubChem (CID 137467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).