7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole

C60H39N3 — CID 176831500

IUPAC7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6c5cc(-c5ccccc5)c5c7ccccc7n(-c7ccccc7)c56)ccc43)cc2)cc1
InChIInChI=1S/C60H39N3/c1-4-18-40(19-5-1)41-32-35-45(36-33-41)61-53-29-15-11-25-47(53)51-38-43(34-37-56(51)61)46-24-10-14-28-52(46)63-55-31-17-13-27-49(55)59-57(63)39-50(42-20-6-2-7-21-42)58-48-26-12-16-30-54(48)62(60(58)59)44-22-8-3-9-23-44/h1-39H
InChIKeyCVIVITVSBCEXDX-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole

7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole (PubChem CID 176831500) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole.

Molecular Properties

Compound Name7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole
PubChem CID176831500
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6c5cc(-c5ccccc5)c5c7ccccc7n(-c7ccccc7)c56)ccc43)cc2)cc1
InChIInChI=1S/C60H39N3/c1-4-18-40(19-5-1)41-32-35-45(36-33-41)61-53-29-15-11-25-47(53)51-38-43(34-37-56(51)61)46-24-10-14-28-52(46)63-55-31-17-13-27-49(55)59-57(63)39-50(42-20-6-2-7-21-42)58-48-26-12-16-30-54(48)62(60(58)59)44-22-8-3-9-23-44/h1-39H
InChIKeyCVIVITVSBCEXDX-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

12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 166037080
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
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
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910
9-(2-phenylphenyl)-3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole
CID 159114299
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559

Frequently Asked Questions

What is the IUPAC name of 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole?
The IUPAC name of 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole (CID 176831500) is 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole.
What is the SMILES notation for 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole?
The canonical SMILES for 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6c5cc(-c5ccccc5)c5c7ccccc7n(-c7ccccc7)c56)ccc43)cc2)cc1.
What is the InChIKey of 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole?
The InChIKey is CVIVITVSBCEXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-4-18-40(19-5-1)41-32-35-45(36-33-41)61-53-29-15-11-25-47(53)51-38-43(34-37-56(51)61)46-24-10-14-28-52(46)63-55-31-17-13-27-49(55)59-57(63)39-50(42-20-6-2-7-21-42)58-48-26-12-16-30-54(48)62(60(58)59)44-22-8-3-9-23-44/h1-39H.
What are the key properties of 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole?
7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]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 7,12-diphenyl-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-a]carbazole is sourced from PubChem (CID 176831500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).