12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole

C60H39N3 — CID 176831302

IUPAC12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)cc43)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-18-40(19-4-1)42-22-17-23-44(38-42)61-54-31-14-9-26-47(54)49-35-34-43(39-58(49)61)46-25-8-12-29-52(46)62-56-33-16-11-28-51(56)59-57(62)37-36-50-48-27-10-15-32-55(48)63(60(50)59)53-30-13-7-24-45(53)41-20-5-2-6-21-41/h1-39H
InChIKeyIQIQPRQNWBDSAL-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole

12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 176831302) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID176831302
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)cc43)c2)cc1
InChIInChI=1S/C60H39N3/c1-3-18-40(19-4-1)42-22-17-23-44(38-42)61-54-31-14-9-26-47(54)49-35-34-43(39-58(49)61)46-25-8-12-29-52(46)62-56-33-16-11-28-51(56)59-57(62)37-36-50-48-27-10-15-32-55(48)63(60(50)59)53-30-13-7-24-45(53)41-20-5-2-6-21-41/h1-39H
InChIKeyIQIQPRQNWBDSAL-UHFFFAOYSA-N
XLogP15.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
3-[9-(2-phenylphenyl)carbazol-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 142315053
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
3,5-diphenyl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(2,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;12-phenyl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 158656844
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831309
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172

Frequently Asked Questions

What is the IUPAC name of 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole (CID 176831302) is 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)cc43)c2)cc1.
What is the InChIKey of 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is IQIQPRQNWBDSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-18-40(19-4-1)42-22-17-23-44(38-42)61-54-31-14-9-26-47(54)49-35-34-43(39-58(49)61)46-25-8-12-29-52(46)62-56-33-16-11-28-51(56)59-57(62)37-36-50-48-27-10-15-32-55(48)63(60(50)59)53-30-13-7-24-45(53)41-20-5-2-6-21-41/h1-39H.
What are the key properties of 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole?
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 801.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 176831302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).