6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine

C73H50N6OS — CID 123254606

IUPAC6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine
SMILESCc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)Oc3cc(-c5ccc(N(c6ccccc6)c6ccc7[nH]c8ccc(N(c9ccccc9)c9ccccc9)cc8c7c6)cc5)ccc3N4)ccc1N2
InChIInChI=1S/C73H50N6OS/c1-46-21-32-66-72(39-46)81-73-42-50(25-34-67(73)76-66)48-26-38-69-61(40-48)58-19-11-12-20-68(58)79(69)57-31-37-65-71(45-57)80-70-41-49(24-33-64(70)75-65)47-22-27-54(28-23-47)78(53-17-9-4-10-18-53)56-30-36-63-60(44-56)59-43-55(29-35-62(59)74-63)77(51-13-5-2-6-14-51)52-15-7-3-8-16-52/h2-45,74-76H,1H3
InChIKeyOIHRNHBBOQJJHX-UHFFFAOYSA-N
MW1059.31 g/mol
LogP21.06
Rot. Bonds9

About 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine

6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine (PubChem CID 123254606) has the molecular formula C73H50N6OS and a molecular weight of 1059.31 g/mol. Its IUPAC name is 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine.

Molecular Properties

Compound Name6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine
PubChem CID123254606
Molecular FormulaC73H50N6OS
Molecular Weight1059.31 g/mol
Exact Mass1058.38
IUPAC Name6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine
SMILESCc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)Oc3cc(-c5ccc(N(c6ccccc6)c6ccc7[nH]c8ccc(N(c9ccccc9)c9ccccc9)cc8c7c6)cc5)ccc3N4)ccc1N2
InChIInChI=1S/C73H50N6OS/c1-46-21-32-66-72(39-46)81-73-42-50(25-34-67(73)76-66)48-26-38-69-61(40-48)58-19-11-12-20-68(58)79(69)57-31-37-65-71(45-57)80-70-41-49(24-33-64(70)75-65)47-22-27-54(28-23-47)78(53-17-9-4-10-18-53)56-30-36-63-60(44-56)59-43-55(29-35-62(59)74-63)77(51-13-5-2-6-14-51)52-15-7-3-8-16-52/h2-45,74-76H,1H3
InChIKeyOIHRNHBBOQJJHX-UHFFFAOYSA-N
XLogP21.06
TPSA60.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.31
LogP ≤ 521.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine with MolForge

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Related Compounds

21-Methyl-10-[6-(2,3,5,6-tetrafluorophenyl)dibenzothiophen-4-yl]-14-oxa-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 122435457
4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile
CID 159028655
10-(4-Butylphenyl)-3,7-bis(3-methylcarbazol-9-yl)phenoxazine
CID 57610187
10-Phenyl-3-[12-(10-phenylphenothiazin-3-yl)indolo[3,2-c]carbazol-5-yl]phenoxazine
CID 58029157
N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine
CID 68016332
10-Phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine
CID 68112353
10-Phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine
CID 68112355
10-Phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 68112364
5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8-oxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 71211307
8,13,24,29-Tetraphenyl-5,21-dioxa-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10(34),11(16),12,14,19,22,24,26(33),27(32),28,30-pentadecaene
CID 71241861
N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 90161020
2-[4-(11H-indolo[3,2-b]carbazol-5-yl)phenyl]-10-phenyl-[1,3]thiazolo[5,4-b]phenoxazine
CID 90201689

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine?
The IUPAC name of 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine (CID 123254606) is 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine.
What is the SMILES notation for 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine?
The canonical SMILES for 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine is Cc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)Oc3cc(-c5ccc(N(c6ccccc6)c6ccc7[nH]c8ccc(N(c9ccccc9)c9ccccc9)cc8c7c6)cc5)ccc3N4)ccc1N2.
What is the InChIKey of 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine?
The InChIKey is OIHRNHBBOQJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N6OS/c1-46-21-32-66-72(39-46)81-73-42-50(25-34-67(73)76-66)48-26-38-69-61(40-48)58-19-11-12-20-68(58)79(69)57-31-37-65-71(45-57)80-70-41-49(24-33-64(70)75-65)47-22-27-54(28-23-47)78(53-17-9-4-10-18-53)56-30-36-63-60(44-56)59-43-55(29-35-62(59)74-63)77(51-13-5-2-6-14-51)52-15-7-3-8-16-52/h2-45,74-76H,1H3.
What are the key properties of 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine?
6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine has a molecular weight of 1059.31 g/mol, XLogP of 21.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine is sourced from PubChem (CID 123254606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).