11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole

C54H35N3 — CID 138736516

IUPAC11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6c5c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C54H35N3/c1-4-19-39(20-5-1)55-48-28-13-10-25-42(48)46-34-37(31-32-51(46)55)36-17-16-18-38(33-36)45-35-47-43-26-11-14-29-49(43)56(40-21-6-2-7-22-40)53(47)54-52(45)44-27-12-15-30-50(44)57(54)41-23-8-3-9-24-41/h1-35H
InChIKeyFRONZQITVSKQRC-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole

11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 138736516) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID138736516
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6c5c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C54H35N3/c1-4-19-39(20-5-1)55-48-28-13-10-25-42(48)46-34-37(31-32-51(46)55)36-17-16-18-38(33-36)45-35-47-43-26-11-14-29-49(43)56(40-21-6-2-7-22-40)53(47)54-52(45)44-27-12-15-30-50(44)57(54)41-23-8-3-9-24-41/h1-35H
InChIKeyFRONZQITVSKQRC-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1,9-diphenyl-4-[3-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 166037080
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 134530228
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
CID 90126284
12-phenyl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160860799

Frequently Asked Questions

What is the IUPAC name of 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole (CID 138736516) is 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6c5c5ccccc5n6-c5ccccc5)c4)ccc32)cc1.
What is the InChIKey of 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is FRONZQITVSKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-19-39(20-5-1)55-48-28-13-10-25-42(48)46-34-37(31-32-51(46)55)36-17-16-18-38(33-36)45-35-47-43-26-11-14-29-49(43)56(40-21-6-2-7-22-40)53(47)54-52(45)44-27-12-15-30-50(44)57(54)41-23-8-3-9-24-41/h1-35H.
What are the key properties of 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole?
11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 138736516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).