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

C66H44N2 — CID 157108405

IUPAC3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccc8)c7)c6)ccc54)c3)c2)cc1
InChIInChI=1S/C66H44N2/c1-4-17-45(18-5-1)48-23-14-25-50(37-48)52-27-16-28-57(40-52)67-63-31-12-10-29-59(63)61-43-53(33-35-65(61)67)54-34-36-66-62(44-54)60-30-11-13-32-64(60)68(66)58-41-55(47-21-8-3-9-22-47)39-56(42-58)51-26-15-24-49(38-51)46-19-6-2-7-20-46/h1-44H
InChIKeyHHISFZKMLUAVIK-UHFFFAOYSA-N
MW865.09 g/mol
LogP17.88
Rot. Bonds8

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

3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole (PubChem CID 157108405) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
PubChem CID157108405
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccc8)c7)c6)ccc54)c3)c2)cc1
InChIInChI=1S/C66H44N2/c1-4-17-45(18-5-1)48-23-14-25-50(37-48)52-27-16-28-57(40-52)67-63-31-12-10-29-59(63)61-43-53(33-35-65(61)67)54-34-36-66-62(44-54)60-30-11-13-32-64(60)68(66)58-41-55(47-21-8-3-9-22-47)39-56(42-58)51-26-15-24-49(38-51)46-19-6-2-7-20-46/h1-44H
InChIKeyHHISFZKMLUAVIK-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

9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
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-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole (CID 157108405) is 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccc8)c7)c6)ccc54)c3)c2)cc1.
What is the InChIKey of 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is HHISFZKMLUAVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-4-17-45(18-5-1)48-23-14-25-50(37-48)52-27-16-28-57(40-52)67-63-31-12-10-29-59(63)61-43-53(33-35-65(61)67)54-34-36-66-62(44-54)60-30-11-13-32-64(60)68(66)58-41-55(47-21-8-3-9-22-47)39-56(42-58)51-26-15-24-49(38-51)46-19-6-2-7-20-46/h1-44H.
What are the key properties of 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole?
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)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 3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 157108405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).