5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole

C48H30N2 — CID 90441162

IUPAC5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3ccc5c6ccccc6c6ccccc6c5c3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C48H30N2/c1-3-13-33(14-4-1)49-45-22-12-11-21-40(45)43-29-48-44(30-47(43)49)42-28-32(24-26-46(42)50(48)34-15-5-2-6-16-34)31-23-25-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)41(39)27-31/h1-30H
InChIKeyZAARZMJRGBTYCY-UHFFFAOYSA-N
MW634.78 g/mol
LogP13.01
Rot. Bonds3

About 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole

5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole (PubChem CID 90441162) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
PubChem CID90441162
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3ccc5c6ccccc6c6ccccc6c5c3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C48H30N2/c1-3-13-33(14-4-1)49-45-22-12-11-21-40(45)43-29-48-44(30-47(43)49)42-28-32(24-26-46(42)50(48)34-15-5-2-6-16-34)31-23-25-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)41(39)27-31/h1-30H
InChIKeyZAARZMJRGBTYCY-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

9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
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
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole (CID 90441162) is 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc(-c3ccc5c6ccccc6c6ccccc6c5c3)ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole?
The InChIKey is ZAARZMJRGBTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-13-33(14-4-1)49-45-22-12-11-21-40(45)43-29-48-44(30-47(43)49)42-28-32(24-26-46(42)50(48)34-15-5-2-6-16-34)31-23-25-39-37-19-8-7-17-35(37)36-18-9-10-20-38(36)41(39)27-31/h1-30H.
What are the key properties of 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole?
5,11-diphenyl-2-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 5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 90441162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).