10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine

C38H25N3S — CID 118315382

IUPAC10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
SMILESc1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c32)cc1
InChIInChI=1S/C38H25N3S/c1-2-10-27(11-3-1)39-25-24-26-18-23-34-37(38(26)39)30-12-4-5-13-31(30)40(34)28-19-21-29(22-20-28)41-32-14-6-8-16-35(32)42-36-17-9-7-15-33(36)41/h1-25H
InChIKeyAPBCWPTUAKEQRK-UHFFFAOYSA-N
MW555.71 g/mol
LogP10.66
Rot. Bonds3

About 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine

10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine (PubChem CID 118315382) has the molecular formula C38H25N3S and a molecular weight of 555.71 g/mol. Its IUPAC name is 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
PubChem CID118315382
Molecular FormulaC38H25N3S
Molecular Weight555.71 g/mol
Exact Mass555.18
IUPAC Name10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
SMILESc1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c32)cc1
InChIInChI=1S/C38H25N3S/c1-2-10-27(11-3-1)39-25-24-26-18-23-34-37(38(26)39)30-12-4-5-13-31(30)40(34)28-19-21-29(22-20-28)41-32-14-6-8-16-35(32)42-36-17-9-7-15-33(36)41/h1-25H
InChIKeyAPBCWPTUAKEQRK-UHFFFAOYSA-N
XLogP10.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.71
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine
CID 118504657
10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine
CID 118315470
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343
9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223722
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
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
14-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222950
14-(3-phenoxyphenyl)-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222968
6-phenyl-1-(5-phenyl-2-pyridinyl)pyrrolo[3,2-c]carbazole
CID 135264353
9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223710
1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
CID 118317381

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine?
The IUPAC name of 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine (CID 118315382) is 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine is c1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)c32)cc1.
What is the InChIKey of 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine?
The InChIKey is APBCWPTUAKEQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3S/c1-2-10-27(11-3-1)39-25-24-26-18-23-34-37(38(26)39)30-12-4-5-13-31(30)40(34)28-19-21-29(22-20-28)41-32-14-6-8-16-35(32)42-36-17-9-7-15-33(36)41/h1-25H.
What are the key properties of 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine?
10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine has a molecular weight of 555.71 g/mol, XLogP of 10.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine is sourced from PubChem (CID 118315382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).