ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole

C56H42N2 — CID 142314929

IUPACethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESCC.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6)cc54)cc3)cc2)cc1
InChIInChI=1S/C54H36N2.C2H6/c1-3-13-37(14-4-1)38-23-25-39(26-24-38)40-27-31-44(32-28-40)55-51-21-11-8-18-46(51)48-33-29-42(35-53(48)55)43-30-34-49-47-19-9-12-22-52(47)56(54(49)36-43)50-20-10-7-17-45(50)41-15-5-2-6-16-41;1-2/h1-36H;1-2H3
InChIKeyYKJJTKQADLCCGY-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.57
Rot. Bonds6

About ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole

ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 142314929) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Nameethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
PubChem CID142314929
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Nameethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESCC.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6)cc54)cc3)cc2)cc1
InChIInChI=1S/C54H36N2.C2H6/c1-3-13-37(14-4-1)38-23-25-39(26-24-38)40-27-31-44(32-28-40)55-51-21-11-8-18-46(51)48-33-29-42(35-53(48)55)43-30-34-49-47-19-9-12-22-52(47)56(54(49)36-43)50-20-10-7-17-45(50)41-15-5-2-6-16-41;1-2/h1-36H;1-2H3
InChIKeyYKJJTKQADLCCGY-UHFFFAOYSA-N
XLogP15.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847545
3-[9-(2-phenylphenyl)carbazol-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 142315053
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
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
5,11-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-(2-phenylphenyl)-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-[3-(4-phenylphenyl)phenyl]-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 158262585
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161451910

Frequently Asked Questions

What is the IUPAC name of ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole (CID 142314929) is ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole is CC.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6)cc54)cc3)cc2)cc1.
What is the InChIKey of ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is YKJJTKQADLCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2.C2H6/c1-3-13-37(14-4-1)38-23-25-39(26-24-38)40-27-31-44(32-28-40)55-51-21-11-8-18-46(51)48-33-29-42(35-53(48)55)43-30-34-49-47-19-9-12-22-52(47)56(54(49)36-43)50-20-10-7-17-45(50)41-15-5-2-6-16-41;1-2/h1-36H;1-2H3.
What are the key properties of ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole?
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 742.97 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 142314929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).