5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole

C66H44N2 — CID 139319559

IUPAC5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1
InChIInChI=1S/C66H44N2/c1-4-16-45(17-5-1)47-34-38-55(39-35-47)67-64-41-37-53(44-60(64)66-57(26-15-29-65(66)67)54-23-14-22-51(42-54)46-18-6-2-7-19-46)49-32-30-48(31-33-49)52-36-40-63-59(43-52)58-25-11-13-28-62(58)68(63)61-27-12-10-24-56(61)50-20-8-3-9-21-50/h1-44H
InChIKeyKFSKBAKQYWTOIZ-UHFFFAOYSA-N
MW865.09 g/mol
LogP17.88
Rot. Bonds8

About 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole

5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole (PubChem CID 139319559) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
PubChem CID139319559
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1
InChIInChI=1S/C66H44N2/c1-4-16-45(17-5-1)47-34-38-55(39-35-47)67-64-41-37-53(44-60(64)66-57(26-15-29-65(66)67)54-23-14-22-51(42-54)46-18-6-2-7-19-46)49-32-30-48(31-33-49)52-36-40-63-59(43-52)58-25-11-13-28-62(58)68(63)61-27-12-10-24-56(61)50-20-8-3-9-21-50/h1-44H
InChIKeyKFSKBAKQYWTOIZ-UHFFFAOYSA-N
XLogP17.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 139319655
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
The IUPAC name of 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole (CID 139319559) is 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
The canonical SMILES for 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5cccc(-c6ccccc6)c5)cccc43)cc2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
The InChIKey is KFSKBAKQYWTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-4-16-45(17-5-1)47-34-38-55(39-35-47)67-64-41-37-53(44-60(64)66-57(26-15-29-65(66)67)54-23-14-22-51(42-54)46-18-6-2-7-19-46)49-32-30-48(31-33-49)52-36-40-63-59(43-52)58-25-11-13-28-62(58)68(63)61-27-12-10-24-56(61)50-20-8-3-9-21-50/h1-44H.
What are the key properties of 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole has a molecular weight of 865.09 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 139319559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).