2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole

C48H31N3 — CID 134194417

IUPAC2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-14-32(15-4-1)33-16-13-19-35(28-33)51-45-25-12-9-22-39(45)41-30-42-40-29-36(50-43-23-10-7-20-37(43)38-21-8-11-24-44(38)50)26-27-46(40)49(48(42)31-47(41)51)34-17-5-2-6-18-34/h1-31H
InChIKeyNJKJMDOUFMOBER-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole

2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 134194417) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
PubChem CID134194417
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-14-32(15-4-1)33-16-13-19-35(28-33)51-45-25-12-9-22-39(45)41-30-42-40-29-36(50-43-23-10-7-20-37(43)38-21-8-11-24-44(38)50)26-27-46(40)49(48(42)31-47(41)51)34-17-5-2-6-18-34/h1-31H
InChIKeyNJKJMDOUFMOBER-UHFFFAOYSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole (CID 134194417) is 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6cc(-n7c8ccccc8c8ccccc87)ccc6n(-c6ccccc6)c5cc43)c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
The InChIKey is NJKJMDOUFMOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-14-32(15-4-1)33-16-13-19-35(28-33)51-45-25-12-9-22-39(45)41-30-42-40-29-36(50-43-23-10-7-20-37(43)38-21-8-11-24-44(38)50)26-27-46(40)49(48(42)31-47(41)51)34-17-5-2-6-18-34/h1-31H.
What are the key properties of 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 134194417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).