3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole

C68H44N2 — CID 126764159

IUPAC3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)c5)c4)ccc32)cc1
InChIInChI=1S/C68H44N2/c1-2-21-57(22-3-1)69-65-27-12-10-25-61(65)63-43-52(33-35-67(63)69)49-19-14-20-53(39-49)59-23-8-9-24-60(59)54-34-36-68-64(44-54)62-26-11-13-28-66(62)70(68)58-41-55(50-31-29-45-15-4-6-17-47(45)37-50)40-56(42-58)51-32-30-46-16-5-7-18-48(46)38-51/h1-44H
InChIKeyLUPPLEFFLZZNGY-UHFFFAOYSA-N
MW889.11 g/mol
LogP18.52
Rot. Bonds7

About 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole

3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 126764159) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID126764159
Molecular FormulaC68H44N2
Molecular Weight889.11 g/mol
Exact Mass888.35
IUPAC Name3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)c5)c4)ccc32)cc1
InChIInChI=1S/C68H44N2/c1-2-21-57(22-3-1)69-65-27-12-10-25-61(65)63-43-52(33-35-67(63)69)49-19-14-20-53(39-49)59-23-8-9-24-60(59)54-34-36-68-64(44-54)62-26-11-13-28-66(62)70(68)58-41-55(50-31-29-45-15-4-6-17-47(45)37-50)40-56(42-58)51-32-30-46-16-5-7-18-48(46)38-51/h1-44H
InChIKeyLUPPLEFFLZZNGY-UHFFFAOYSA-N
XLogP18.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-[3-[2-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764075
3-[4-[2-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 162107849
3-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 164991388
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 144560287

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole (CID 126764159) is 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is LUPPLEFFLZZNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-2-21-57(22-3-1)69-65-27-12-10-25-61(65)63-43-52(33-35-67(63)69)49-19-14-20-53(39-49)59-23-8-9-24-60(59)54-34-36-68-64(44-54)62-26-11-13-28-66(62)70(68)58-41-55(50-31-29-45-15-4-6-17-47(45)37-50)40-56(42-58)51-32-30-46-16-5-7-18-48(46)38-51/h1-44H.
What are the key properties of 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole?
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 889.11 g/mol, XLogP of 18.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 126764159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).