9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole

C70H49N3 — CID 88530896

IUPAC9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
SMILESC1=Cc2c(c(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc(-c7c(-c8ccccc8)n(-c8ccccc8)c8ccccc78)cc6)ccc54)cc3)c(-c3ccccc3)n2-c2ccccc2)CC1
InChIInChI=1S/C70H49N3/c1-6-20-48(21-7-1)54-40-44-65-61(46-54)62-47-55(49-34-36-50(37-35-49)67-59-30-16-18-32-63(59)72(56-26-12-4-13-27-56)69(67)52-22-8-2-9-23-52)41-45-66(62)71(65)58-42-38-51(39-43-58)68-60-31-17-19-33-64(60)73(57-28-14-5-15-29-57)70(68)53-24-10-3-11-25-53/h1-16,18-30,32-47H,17,31H2
InChIKeyMGLWODITJAQCAB-UHFFFAOYSA-N
MW932.18 g/mol
LogP18.48
Rot. Bonds9

About 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole

9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole (PubChem CID 88530896) has the molecular formula C70H49N3 and a molecular weight of 932.18 g/mol. Its IUPAC name is 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
PubChem CID88530896
Molecular FormulaC70H49N3
Molecular Weight932.18 g/mol
Exact Mass931.39
IUPAC Name9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
SMILESC1=Cc2c(c(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc(-c7c(-c8ccccc8)n(-c8ccccc8)c8ccccc78)cc6)ccc54)cc3)c(-c3ccccc3)n2-c2ccccc2)CC1
InChIInChI=1S/C70H49N3/c1-6-20-48(21-7-1)54-40-44-65-61(46-54)62-47-55(49-34-36-50(37-35-49)67-59-30-16-18-32-63(59)72(56-26-12-4-13-27-56)69(67)52-22-8-2-9-23-52)41-45-66(62)71(65)58-42-38-51(39-43-58)68-60-31-17-19-33-64(60)73(57-28-14-5-15-29-57)70(68)53-24-10-3-11-25-53/h1-16,18-30,32-47H,17,31H2
InChIKeyMGLWODITJAQCAB-UHFFFAOYSA-N
XLogP18.48
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.18
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-ethyl-3,6-bis(9-ethylcarbazol-3-yl)carbazole;3-(9-ethylcarbazol-3-yl)-9-[4-[4-[3-(9-ethyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157190296
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
2,5-diphenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(9-phenyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 163897898
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole?
The IUPAC name of 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole (CID 88530896) is 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole.
What is the SMILES notation for 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole?
The canonical SMILES for 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole is C1=Cc2c(c(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc(-c7c(-c8ccccc8)n(-c8ccccc8)c8ccccc78)cc6)ccc54)cc3)c(-c3ccccc3)n2-c2ccccc2)CC1.
What is the InChIKey of 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole?
The InChIKey is MGLWODITJAQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3/c1-6-20-48(21-7-1)54-40-44-65-61(46-54)62-47-55(49-34-36-50(37-35-49)67-59-30-16-18-32-63(59)72(56-26-12-4-13-27-56)69(67)52-22-8-2-9-23-52)41-45-66(62)71(65)58-42-38-51(39-43-58)68-60-31-17-19-33-64(60)73(57-28-14-5-15-29-57)70(68)53-24-10-3-11-25-53/h1-16,18-30,32-47H,17,31H2.
What are the key properties of 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole?
9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole has a molecular weight of 932.18 g/mol, XLogP of 18.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole is sourced from PubChem (CID 88530896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).