12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole

C60H39N3 — CID 176831298

IUPAC12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)ccc43)cc2)cc1
InChIInChI=1S/C60H39N3/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)61-54-28-14-10-24-48(54)51-39-43(33-37-57(51)61)46-22-8-12-26-52(46)62-56-30-16-11-25-50(56)59-58(62)38-36-49-47-23-9-15-29-55(47)63(60(49)59)53-27-13-7-21-45(53)42-19-5-2-6-20-42/h1-39H
InChIKeySPXOKGGCBGSTRB-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole

12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 176831298) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID176831298
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)ccc43)cc2)cc1
InChIInChI=1S/C60H39N3/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)61-54-28-14-10-24-48(54)51-39-43(33-37-57(51)61)46-22-8-12-26-52(46)62-56-30-16-11-25-50(56)59-58(62)38-36-49-47-23-9-15-29-55(47)63(60(49)59)53-27-13-7-21-45(53)42-19-5-2-6-20-42/h1-39H
InChIKeySPXOKGGCBGSTRB-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-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302
7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole
CID 176831500
12-(3-phenylphenyl)-5-[4-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831309
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345

Frequently Asked Questions

What is the IUPAC name of 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole (CID 176831298) is 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)ccc43)cc2)cc1.
What is the InChIKey of 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is SPXOKGGCBGSTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-17-40(18-4-1)41-31-34-44(35-32-41)61-54-28-14-10-24-48(54)51-39-43(33-37-57(51)61)46-22-8-12-26-52(46)62-56-30-16-11-25-50(56)59-58(62)38-36-49-47-23-9-15-29-55(47)63(60(49)59)53-27-13-7-21-45(53)42-19-5-2-6-20-42/h1-39H.
What are the key properties of 12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole?
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-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-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 176831298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).