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

C80H52N4 — CID 59702563

IUPAC9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc8ccccc8nc7-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)cc7)cc6)ccc54)cc3)c2)cc1
InChIInChI=1S/C80H52N4/c1-3-15-53(16-4-1)61-19-13-21-63(49-61)57-37-43-67(44-38-57)83-75-27-11-7-23-69(75)71-51-65(41-47-77(71)83)55-29-33-59(34-30-55)79-80(82-74-26-10-9-25-73(74)81-79)60-35-31-56(32-36-60)66-42-48-78-72(52-66)70-24-8-12-28-76(70)84(78)68-45-39-58(40-46-68)64-22-14-20-62(50-64)54-17-5-2-6-18-54/h1-52H
InChIKeyFEERTOJYNSCWJG-UHFFFAOYSA-N
MW1069.32 g/mol
LogP21.16
Rot. Bonds10

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

9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole (PubChem CID 59702563) has the molecular formula C80H52N4 and a molecular weight of 1069.32 g/mol. Its IUPAC name is 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
PubChem CID59702563
Molecular FormulaC80H52N4
Molecular Weight1069.32 g/mol
Exact Mass1068.42
IUPAC Name9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc8ccccc8nc7-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)cc7)cc6)ccc54)cc3)c2)cc1
InChIInChI=1S/C80H52N4/c1-3-15-53(16-4-1)61-19-13-21-63(49-61)57-37-43-67(44-38-57)83-75-27-11-7-23-69(75)71-51-65(41-47-77(71)83)55-29-33-59(34-30-55)79-80(82-74-26-10-9-25-73(74)81-79)60-35-31-56(32-36-60)66-42-48-78-72(52-66)70-24-8-12-28-76(70)84(78)68-45-39-58(40-46-68)64-22-14-20-62(50-64)54-17-5-2-6-18-54/h1-52H
InChIKeyFEERTOJYNSCWJG-UHFFFAOYSA-N
XLogP21.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.32
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole (CID 59702563) is 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc8ccccc8nc7-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)cc7)cc6)ccc54)cc3)c2)cc1.
What is the InChIKey of 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
The InChIKey is FEERTOJYNSCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N4/c1-3-15-53(16-4-1)61-19-13-21-63(49-61)57-37-43-67(44-38-57)83-75-27-11-7-23-69(75)71-51-65(41-47-77(71)83)55-29-33-59(34-30-55)79-80(82-74-26-10-9-25-73(74)81-79)60-35-31-56(32-36-60)66-42-48-78-72(52-66)70-24-8-12-28-76(70)84(78)68-45-39-58(40-46-68)64-22-14-20-62(50-64)54-17-5-2-6-18-54/h1-52H.
What are the key properties of 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole has a molecular weight of 1069.32 g/mol, XLogP of 21.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole is sourced from PubChem (CID 59702563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).