9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole

C49H34N2 — CID 164756650

IUPAC9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-29-31-47-43(33-38)41-25-13-16-28-46(41)51(47)40-30-32-48-44(34-40)42-26-14-15-27-45(42)50(48)39-23-11-4-12-24-39/h1-34H
InChIKeyKZAYBZTWSNATTC-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.26
Rot. Bonds6

About 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole

9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole (PubChem CID 164756650) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
PubChem CID164756650
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-29-31-47-43(33-38)41-25-13-16-28-46(41)51(47)40-30-32-48-44(34-40)42-26-14-15-27-45(42)50(48)39-23-11-4-12-24-39/h1-34H
InChIKeyKZAYBZTWSNATTC-UHFFFAOYSA-N
XLogP12.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
9-(4-tritylphenyl)carbazole
CID 162500226
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-6-tritylcarbazole
CID 164756654
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole?
The IUPAC name of 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole (CID 164756650) is 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole?
The InChIKey is KZAYBZTWSNATTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-5-17-35(18-6-1)49(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-29-31-47-43(33-38)41-25-13-16-28-46(41)51(47)40-30-32-48-44(34-40)42-26-14-15-27-45(42)50(48)39-23-11-4-12-24-39/h1-34H.
What are the key properties of 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole?
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole has a molecular weight of 650.83 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole is sourced from PubChem (CID 164756650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).