7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C52H31N3S4 — CID 90078339

IUPAC7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5cc6c(s5)c5sccc5n6-c5ccccc5)cc4)cc3c3cc(-c4cc5c(s4)c4sccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H31N3S4/c1-4-10-36(11-5-1)53-41-22-20-34(32-16-18-33(19-17-32)47-30-45-51(58-47)49-43(24-26-56-49)54(45)37-12-6-2-7-13-37)28-39(41)40-29-35(21-23-42(40)53)48-31-46-52(59-48)50-44(25-27-57-50)55(46)38-14-8-3-9-15-38/h1-31H
InChIKeyUDMGDAILCUNEQK-UHFFFAOYSA-N
MW826.11 g/mol
LogP16.22
Rot. Bonds6

About 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 90078339) has the molecular formula C52H31N3S4 and a molecular weight of 826.11 g/mol. Its IUPAC name is 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID90078339
Molecular FormulaC52H31N3S4
Molecular Weight826.11 g/mol
Exact Mass825.14
IUPAC Name7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5cc6c(s5)c5sccc5n6-c5ccccc5)cc4)cc3c3cc(-c4cc5c(s4)c4sccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H31N3S4/c1-4-10-36(11-5-1)53-41-22-20-34(32-16-18-33(19-17-32)47-30-45-51(58-47)49-43(24-26-56-49)54(45)37-12-6-2-7-13-37)28-39(41)40-29-35(21-23-42(40)53)48-31-46-52(59-48)50-44(25-27-57-50)55(46)38-14-8-3-9-15-38/h1-31H
InChIKeyUDMGDAILCUNEQK-UHFFFAOYSA-N
XLogP16.22
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.11
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

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Related Compounds

7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 90078450
2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
CID 144587911
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
N-[4-(7-tert-butyl-4-phenylthieno[3,2-b]indol-2-yl)phenyl]-N,4-diphenylaniline
CID 144587937
9-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12,14,16-octaene
CID 163298508
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole
CID 140932049
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 90078339) is 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is c1ccc(-n2c3ccc(-c4ccc(-c5cc6c(s5)c5sccc5n6-c5ccccc5)cc4)cc3c3cc(-c4cc5c(s4)c4sccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is UDMGDAILCUNEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3S4/c1-4-10-36(11-5-1)53-41-22-20-34(32-16-18-33(19-17-32)47-30-45-51(58-47)49-43(24-26-56-49)54(45)37-12-6-2-7-13-37)28-39(41)40-29-35(21-23-42(40)53)48-31-46-52(59-48)50-44(25-27-57-50)55(46)38-14-8-3-9-15-38/h1-31H.
What are the key properties of 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 826.11 g/mol, XLogP of 16.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 90078339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).