10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine

C44H29N3S — CID 118315470

IUPAC10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine
SMILESc1ccc(-c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)c34)cc2)cc1
InChIInChI=1S/C44H29N3S/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)45-29-28-37-38(45)27-26-36-35-12-4-5-13-39(35)47(44(36)37)34-24-22-33(23-25-34)46-40-14-6-8-16-42(40)48-43-17-9-7-15-41(43)46/h1-29H
InChIKeyIUDUJBVOWSTUSK-UHFFFAOYSA-N
MW631.80 g/mol
LogP12.33
Rot. Bonds4

About 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine

10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine (PubChem CID 118315470) has the molecular formula C44H29N3S and a molecular weight of 631.80 g/mol. Its IUPAC name is 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine
PubChem CID118315470
Molecular FormulaC44H29N3S
Molecular Weight631.80 g/mol
Exact Mass631.21
IUPAC Name10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine
SMILESc1ccc(-c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)c34)cc2)cc1
InChIInChI=1S/C44H29N3S/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)45-29-28-37-38(45)27-26-36-35-12-4-5-13-39(35)47(44(36)37)34-24-22-33(23-25-34)46-40-14-6-8-16-42(40)48-43-17-9-7-15-41(43)46/h1-29H
InChIKeyIUDUJBVOWSTUSK-UHFFFAOYSA-N
XLogP12.33
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.80
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine with MolForge

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Related Compounds

10-[4-(10-phenylphenazin-5-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315454
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429
10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
N-[4-(10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaen-14-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267399
3-phenyl-10-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90371613
10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
CID 118315382
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-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine?
The IUPAC name of 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine (CID 118315470) is 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine?
The canonical SMILES for 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine is c1ccc(-c2ccc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)c34)cc2)cc1.
What is the InChIKey of 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine?
The InChIKey is IUDUJBVOWSTUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3S/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)45-29-28-37-38(45)27-26-36-35-12-4-5-13-39(35)47(44(36)37)34-24-22-33(23-25-34)46-40-14-6-8-16-42(40)48-43-17-9-7-15-41(43)46/h1-29H.
What are the key properties of 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine?
10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine has a molecular weight of 631.80 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenothiazine is sourced from PubChem (CID 118315470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).