10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine

C42H27N3S — CID 118504657

IUPAC10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Sc6ccccc65)c4)c23)cc1
InChIInChI=1S/C42H27N3S/c1-2-13-28(14-3-1)43-35-20-7-5-18-33(35)41-38(43)26-25-32-31-17-4-6-19-34(31)45(42(32)41)30-16-12-15-29(27-30)44-36-21-8-10-23-39(36)46-40-24-11-9-22-37(40)44/h1-27H
InChIKeyONQSYMUVJXTBAJ-UHFFFAOYSA-N
MW605.77 g/mol
LogP11.82
Rot. Bonds3

About 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine

10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine (PubChem CID 118504657) has the molecular formula C42H27N3S and a molecular weight of 605.77 g/mol. Its IUPAC name is 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine
PubChem CID118504657
Molecular FormulaC42H27N3S
Molecular Weight605.77 g/mol
Exact Mass605.19
IUPAC Name10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Sc6ccccc65)c4)c23)cc1
InChIInChI=1S/C42H27N3S/c1-2-13-28(14-3-1)43-35-20-7-5-18-33(35)41-38(43)26-25-32-31-17-4-6-19-34(31)45(42(32)41)30-16-12-15-29(27-30)44-36-21-8-10-23-39(36)46-40-24-11-9-22-37(40)44/h1-27H
InChIKeyONQSYMUVJXTBAJ-UHFFFAOYSA-N
XLogP11.82
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.77
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene
CID 158710008
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine?
The IUPAC name of 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine (CID 118504657) is 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine is c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(N5c6ccccc6Sc6ccccc65)c4)c23)cc1.
What is the InChIKey of 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine?
The InChIKey is ONQSYMUVJXTBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3S/c1-2-13-28(14-3-1)43-35-20-7-5-18-33(35)41-38(43)26-25-32-31-17-4-6-19-34(31)45(42(32)41)30-16-12-15-29(27-30)44-36-21-8-10-23-39(36)46-40-24-11-9-22-37(40)44/h1-27H.
What are the key properties of 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine?
10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine has a molecular weight of 605.77 g/mol, XLogP of 11.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenothiazine is sourced from PubChem (CID 118504657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).