9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole

C44H28N2 — CID 130233155

IUPAC9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5ccn(-c6ccc7c8ccccc8c8ccccc8c7c6)c5c4)ccc32)cc1
InChIInChI=1S/C44H28N2/c1-2-10-32(11-3-1)46-42-17-9-8-16-39(42)41-26-30(20-23-43(41)46)31-19-18-29-24-25-45(44(29)27-31)33-21-22-38-36-14-5-4-12-34(36)35-13-6-7-15-37(35)40(38)28-33/h1-28H
InChIKeyGYGHKUHQWIZVDT-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

About 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole

9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole (PubChem CID 130233155) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
PubChem CID130233155
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5ccn(-c6ccc7c8ccccc8c8ccccc8c7c6)c5c4)ccc32)cc1
InChIInChI=1S/C44H28N2/c1-2-10-32(11-3-1)46-42-17-9-8-16-39(42)41-26-30(20-23-43(41)46)31-19-18-29-24-25-45(44(29)27-31)33-21-22-38-36-14-5-4-12-34(36)35-13-6-7-15-37(35)40(38)28-33/h1-28H
InChIKeyGYGHKUHQWIZVDT-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
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-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130232168
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
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-[9-(1-phenylindol-6-yl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 130233154
3-(3,5-dibromophenyl)-9-(1-phenylindol-6-yl)carbazole
CID 122666253
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
The IUPAC name of 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole (CID 130233155) is 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5ccn(-c6ccc7c8ccccc8c8ccccc8c7c6)c5c4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
The InChIKey is GYGHKUHQWIZVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-10-32(11-3-1)46-42-17-9-8-16-39(42)41-26-30(20-23-43(41)46)31-19-18-29-24-25-45(44(29)27-31)33-21-22-38-36-14-5-4-12-34(36)35-13-6-7-15-37(35)40(38)28-33/h1-28H.
What are the key properties of 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole is sourced from PubChem (CID 130233155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).