9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole

C61H42N2 — CID 130230832

IUPAC9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(C(c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C61H42N2/c1-6-19-43(20-7-1)44-21-18-30-52(39-44)63-57-32-17-16-31-53(57)54-40-45(33-36-58(54)63)46-34-37-59-55(41-46)56-42-50(35-38-60(56)62(59)51-28-14-5-15-29-51)61(47-22-8-2-9-23-47,48-24-10-3-11-25-48)49-26-12-4-13-27-49/h1-42H
InChIKeyDYOBTVVSLJIBJC-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.60
Rot. Bonds8

About 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole

9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole (PubChem CID 130230832) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
PubChem CID130230832
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(C(c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C61H42N2/c1-6-19-43(20-7-1)44-21-18-30-52(39-44)63-57-32-17-16-31-53(57)54-40-45(33-36-58(54)63)46-34-37-59-55(41-46)56-42-50(35-38-60(56)62(59)51-28-14-5-15-29-51)61(47-22-8-2-9-23-47,48-24-10-3-11-25-48)49-26-12-4-13-27-49/h1-42H
InChIKeyDYOBTVVSLJIBJC-UHFFFAOYSA-N
XLogP15.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.60
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-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
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-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole?
The IUPAC name of 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole (CID 130230832) is 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole.
What is the SMILES notation for 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole?
The canonical SMILES for 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(C(c7ccccc7)(c7ccccc7)c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole?
The InChIKey is DYOBTVVSLJIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-6-19-43(20-7-1)44-21-18-30-52(39-44)63-57-32-17-16-31-53(57)54-40-45(33-36-58(54)63)46-34-37-59-55(41-46)56-42-50(35-38-60(56)62(59)51-28-14-5-15-29-51)61(47-22-8-2-9-23-47,48-24-10-3-11-25-48)49-26-12-4-13-27-49/h1-42H.
What are the key properties of 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole?
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole has a molecular weight of 803.02 g/mol, XLogP of 15.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole is sourced from PubChem (CID 130230832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).