3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole

C67H46N2 — CID 130231251

IUPAC3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)c2)cc1
InChIInChI=1S/C67H46N2/c1-5-18-47(19-6-1)49-20-17-21-50(44-49)48-32-38-57(39-33-48)68-63-30-15-13-28-59(63)61-45-51(34-42-65(61)68)52-35-43-66-62(46-52)60-29-14-16-31-64(60)69(66)58-40-36-56(37-41-58)67(53-22-7-2-8-23-53,54-24-9-3-10-25-54)55-26-11-4-12-27-55/h1-46H
InChIKeyLDTKXSZEDUPIKB-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.26
Rot. Bonds9

About 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole

3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole (PubChem CID 130231251) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
PubChem CID130231251
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC Name3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)c2)cc1
InChIInChI=1S/C67H46N2/c1-5-18-47(19-6-1)49-20-17-21-50(44-49)48-32-38-57(39-33-48)68-63-30-15-13-28-59(63)61-45-51(34-42-65(61)68)52-35-43-66-62(46-52)60-29-14-16-31-64(60)69(66)58-40-36-56(37-41-58)67(53-22-7-2-8-23-53,54-24-9-3-10-25-54)55-26-11-4-12-27-55/h1-46H
InChIKeyLDTKXSZEDUPIKB-UHFFFAOYSA-N
XLogP17.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.26
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

9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
2-phenyl-9-(4-phenylphenyl)-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170072561

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole?
The IUPAC name of 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole (CID 130231251) is 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole.
What is the SMILES notation for 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole?
The canonical SMILES for 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C(c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)c2)cc1.
What is the InChIKey of 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole?
The InChIKey is LDTKXSZEDUPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-18-47(19-6-1)49-20-17-21-50(44-49)48-32-38-57(39-33-48)68-63-30-15-13-28-59(63)61-45-51(34-42-65(61)68)52-35-43-66-62(46-52)60-29-14-16-31-64(60)69(66)58-40-36-56(37-41-58)67(53-22-7-2-8-23-53,54-24-9-3-10-25-54)55-26-11-4-12-27-55/h1-46H.
What are the key properties of 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole?
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole has a molecular weight of 879.12 g/mol, XLogP of 17.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole is sourced from PubChem (CID 130231251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).