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

C60H40N2 — CID 139319609

IUPAC5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C60H40N2/c1-4-16-41(17-5-1)46-22-14-23-49(38-46)61-58-37-35-48(40-54(58)60-51(26-15-29-59(60)61)45-20-8-3-9-21-45)43-32-30-42(31-33-43)47-34-36-57-53(39-47)52-25-11-13-28-56(52)62(57)55-27-12-10-24-50(55)44-18-6-2-7-19-44/h1-40H
InChIKeyFSUKZXXEGNTUOI-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

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

5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole (PubChem CID 139319609) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
PubChem CID139319609
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C60H40N2/c1-4-16-41(17-5-1)46-22-14-23-49(38-46)61-58-37-35-48(40-54(58)60-51(26-15-29-59(60)61)45-20-8-3-9-21-45)43-32-30-42(31-33-43)47-34-36-57-53(39-47)52-25-11-13-28-56(52)62(57)55-27-12-10-24-50(55)44-18-6-2-7-19-44/h1-40H
InChIKeyFSUKZXXEGNTUOI-UHFFFAOYSA-N
XLogP16.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 139319523
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-5,9-diphenylcarbazole;3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole;5-phenyl-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159660709
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
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
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825
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
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
9-(2-phenylphenyl)-3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]carbazole
CID 159114299

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
The IUPAC name of 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole (CID 139319609) is 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
The canonical SMILES for 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)cc5)cc4c4c(-c5ccccc5)cccc43)c2)cc1.
What is the InChIKey of 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
The InChIKey is FSUKZXXEGNTUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-16-41(17-5-1)46-22-14-23-49(38-46)61-58-37-35-48(40-54(58)60-51(26-15-29-59(60)61)45-20-8-3-9-21-45)43-32-30-42(31-33-43)47-34-36-57-53(39-47)52-25-11-13-28-56(52)62(57)55-27-12-10-24-50(55)44-18-6-2-7-19-44/h1-40H.
What are the key properties of 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole?
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole has a molecular weight of 788.99 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 139319609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).