12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole

C48H32N2 — CID 118318986

IUPAC12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C48H32N2/c1-5-15-33(16-6-1)36-25-28-46-44(32-36)43-27-26-42-41-23-13-14-24-45(41)49(39-21-11-4-12-22-39)47(42)48(43)50(46)40-30-37(34-17-7-2-8-18-34)29-38(31-40)35-19-9-3-10-20-35/h1-32H
InChIKeyCGBWWUQIIDSXCV-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole

12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole (PubChem CID 118318986) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
PubChem CID118318986
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C48H32N2/c1-5-15-33(16-6-1)36-25-28-46-44(32-36)43-27-26-42-41-23-13-14-24-45(41)49(39-21-11-4-12-22-39)47(42)48(43)50(46)40-30-37(34-17-7-2-8-18-34)29-38(31-40)35-19-9-3-10-20-35/h1-32H
InChIKeyCGBWWUQIIDSXCV-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
CID 170360926
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole (CID 118318986) is 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccccc5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole?
The InChIKey is CGBWWUQIIDSXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-5-15-33(16-6-1)36-25-28-46-44(32-36)43-27-26-42-41-23-13-14-24-45(41)49(39-21-11-4-12-22-39)47(42)48(43)50(46)40-30-37(34-17-7-2-8-18-34)29-38(31-40)35-19-9-3-10-20-35/h1-32H.
What are the key properties of 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole?
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 118318986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).