1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine

C64H41N5S2 — CID 155121199

IUPAC1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine
SMILESc1ccc(-n2ccc3cc4c(cc32)N(c2ccc(N3c5ccccc5Sc5cc6ccn(-c7ccccc7)c6cc53)c(-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c2)c2ccccc2S4)cc1
InChIInChI=1S/C64H41N5S2/c1-4-16-45(17-5-1)65-34-32-43-37-63-59(40-57(43)65)68(55-24-12-14-26-61(55)70-63)48-29-31-53(50(39-48)42-28-30-54-51(36-42)49-22-10-11-23-52(49)67(54)47-20-8-3-9-21-47)69-56-25-13-15-27-62(56)71-64-38-44-33-35-66(58(44)41-60(64)69)46-18-6-2-7-19-46/h1-41H
InChIKeyRYCSTAQDFMQUMG-UHFFFAOYSA-N
MW944.20 g/mol
LogP18.21
Rot. Bonds6

About 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine

1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine (PubChem CID 155121199) has the molecular formula C64H41N5S2 and a molecular weight of 944.20 g/mol. Its IUPAC name is 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine.

Molecular Properties

Compound Name1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine
PubChem CID155121199
Molecular FormulaC64H41N5S2
Molecular Weight944.20 g/mol
Exact Mass943.28
IUPAC Name1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine
SMILESc1ccc(-n2ccc3cc4c(cc32)N(c2ccc(N3c5ccccc5Sc5cc6ccn(-c7ccccc7)c6cc53)c(-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c2)c2ccccc2S4)cc1
InChIInChI=1S/C64H41N5S2/c1-4-16-45(17-5-1)65-34-32-43-37-63-59(40-57(43)65)68(55-24-12-14-26-61(55)70-63)48-29-31-53(50(39-48)42-28-30-54-51(36-42)49-22-10-11-23-52(49)67(54)47-20-8-3-9-21-47)69-56-25-13-15-27-62(56)71-64-38-44-33-35-66(58(44)41-60(64)69)46-18-6-2-7-19-46/h1-41H
InChIKeyRYCSTAQDFMQUMG-UHFFFAOYSA-N
XLogP18.21
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.20
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
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
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-(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
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
CID 118315382
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698
10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine
CID 118315470
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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine?
The IUPAC name of 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine (CID 155121199) is 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine.
What is the SMILES notation for 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine?
The canonical SMILES for 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine is c1ccc(-n2ccc3cc4c(cc32)N(c2ccc(N3c5ccccc5Sc5cc6ccn(-c7ccccc7)c6cc53)c(-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)c2)c2ccccc2S4)cc1.
What is the InChIKey of 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine?
The InChIKey is RYCSTAQDFMQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5S2/c1-4-16-45(17-5-1)65-34-32-43-37-63-59(40-57(43)65)68(55-24-12-14-26-61(55)70-63)48-29-31-53(50(39-48)42-28-30-54-51(36-42)49-22-10-11-23-52(49)67(54)47-20-8-3-9-21-47)69-56-25-13-15-27-62(56)71-64-38-44-33-35-66(58(44)41-60(64)69)46-18-6-2-7-19-46/h1-41H.
What are the key properties of 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine?
1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine has a molecular weight of 944.20 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10-[2-(9-phenylcarbazol-3-yl)-4-(1-phenylpyrrolo[2,3-b]phenothiazin-10-yl)phenyl]pyrrolo[2,3-b]phenothiazine is sourced from PubChem (CID 155121199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).