5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole

C48H30N2 — CID 147253407

IUPAC5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H30N2/c1-2-12-31(13-3-1)32-22-24-33(25-23-32)49-45-20-10-8-18-40(45)43-30-48-44(29-47(43)49)41-19-9-11-21-46(41)50(48)34-26-27-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-34/h1-30H
InChIKeyCNCYYUQVCNYGEH-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.01
Rot. Bonds3

About 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole

5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole (PubChem CID 147253407) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
PubChem CID147253407
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H30N2/c1-2-12-31(13-3-1)32-22-24-33(25-23-32)49-45-20-10-8-18-40(45)43-30-48-44(29-47(43)49)41-19-9-11-21-46(41)50(48)34-26-27-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-34/h1-30H
InChIKeyCNCYYUQVCNYGEH-UHFFFAOYSA-N
XLogP13.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 142356273
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 159578220
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole?
The IUPAC name of 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole (CID 147253407) is 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole?
The InChIKey is CNCYYUQVCNYGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-12-31(13-3-1)32-22-24-33(25-23-32)49-45-20-10-8-18-40(45)43-30-48-44(29-47(43)49)41-19-9-11-21-46(41)50(48)34-26-27-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-34/h1-30H.
What are the key properties of 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole?
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole has a molecular weight of 634.78 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 147253407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).