3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine

C84H59N7OS — CID 145233410

IUPAC3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3[nH]c4ccc(N(c5ccccc5)c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4ccccc43)cc1O2.c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4ccccc43)cc1S2
InChIInChI=1S/C36H27N3.C24H16N2O.C24H16N2S/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)37-35)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-4-10-21-17(7-1)18-8-2-5-11-22(18)26(21)16-13-14-20-24(15-16)27-23-12-6-3-9-19(23)25-20/h1-26,37H;2*1-15,25H
InChIKeyQCEKUNJIUCMOLX-UHFFFAOYSA-N
MW1214.51 g/mol
LogP23.89
Rot. Bonds8

About 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine

3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine (PubChem CID 145233410) has the molecular formula C84H59N7OS and a molecular weight of 1214.51 g/mol. Its IUPAC name is 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine.

Molecular Properties

Compound Name3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine
PubChem CID145233410
Molecular FormulaC84H59N7OS
Molecular Weight1214.51 g/mol
Exact Mass1213.45
IUPAC Name3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3[nH]c4ccc(N(c5ccccc5)c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4ccccc43)cc1O2.c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4ccccc43)cc1S2
InChIInChI=1S/C36H27N3.C24H16N2O.C24H16N2S/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)37-35)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-4-10-21-17(7-1)18-8-2-5-11-22(18)26(21)16-13-14-20-24(15-16)27-23-12-6-3-9-19(23)25-20/h1-26,37H;2*1-15,25H
InChIKeyQCEKUNJIUCMOLX-UHFFFAOYSA-N
XLogP23.89
TPSA65.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.51
LogP ≤ 523.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[4-[4-[N-(9H-carbazol-2-yl)anilino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 146233031
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
aniline;9H-carbazole;6-carbazol-9-yl-N-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-N,9-diphenylcarbazol-3-amine;3-carbazol-9-yl-6-iodo-9-phenylcarbazole;3,6-diiodo-9-phenylcarbazole;methane
CID 158833173
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 164811785
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 141087826
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine?
The IUPAC name of 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine (CID 145233410) is 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine.
What is the SMILES notation for 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine?
The canonical SMILES for 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc3[nH]c4ccc(N(c5ccccc5)c5ccccc5)cc4c3c2)cc1.c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4ccccc43)cc1O2.c1ccc2c(c1)Nc1ccc(-n3c4ccccc4c4ccccc43)cc1S2.
What is the InChIKey of 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine?
The InChIKey is QCEKUNJIUCMOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3.C24H16N2O.C24H16N2S/c1-5-13-27(14-6-1)38(28-15-7-2-8-16-28)31-21-23-35-33(25-31)34-26-32(22-24-36(34)37-35)39(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-4-10-21-17(7-1)18-8-2-5-11-22(18)26(21)16-13-14-20-24(15-16)27-23-12-6-3-9-19(23)25-20/h1-26,37H;2*1-15,25H.
What are the key properties of 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine?
3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine has a molecular weight of 1214.51 g/mol, XLogP of 23.89, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10H-phenothiazine;3-carbazol-9-yl-10H-phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9H-carbazole-3,6-diamine is sourced from PubChem (CID 145233410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).