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

C68H44N4 — CID 59702533

IUPAC9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C68H44N4/c1-3-17-45(18-4-1)59-43-51(71-63-27-13-7-21-55(63)56-22-8-14-28-64(56)71)39-41-53(59)47-31-35-49(36-32-47)67-68(70-62-26-12-11-25-61(62)69-67)50-37-33-48(34-38-50)54-42-40-52(44-60(54)46-19-5-2-6-20-46)72-65-29-15-9-23-57(65)58-24-10-16-30-66(58)72/h1-44H
InChIKeyBWVBTMPFHGBSPI-UHFFFAOYSA-N
MW917.13 g/mol
LogP17.83
Rot. Bonds8

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

9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole (PubChem CID 59702533) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
PubChem CID59702533
Molecular FormulaC68H44N4
Molecular Weight917.13 g/mol
Exact Mass916.36
IUPAC Name9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C68H44N4/c1-3-17-45(18-4-1)59-43-51(71-63-27-13-7-21-55(63)56-22-8-14-28-64(56)71)39-41-53(59)47-31-35-49(36-32-47)67-68(70-62-26-12-11-25-61(62)69-67)50-37-33-48(34-38-50)54-42-40-52(44-60(54)46-19-5-2-6-20-46)72-65-29-15-9-23-57(65)58-24-10-16-30-66(58)72/h1-44H
InChIKeyBWVBTMPFHGBSPI-UHFFFAOYSA-N
XLogP17.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.13
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
CID 59702564
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 139315826
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
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
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
CID 166504730
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
9-[4-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;9-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158730760
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenylquinoxalin-2-yl)naphthalen-1-amine
CID 59260010
2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163545205

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole (CID 59702533) is 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole?
The InChIKey is BWVBTMPFHGBSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-3-17-45(18-4-1)59-43-51(71-63-27-13-7-21-55(63)56-22-8-14-28-64(56)71)39-41-53(59)47-31-35-49(36-32-47)67-68(70-62-26-12-11-25-61(62)69-67)50-37-33-48(34-38-50)54-42-40-52(44-60(54)46-19-5-2-6-20-46)72-65-29-15-9-23-57(65)58-24-10-16-30-66(58)72/h1-44H.
What are the key properties of 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole?
9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole has a molecular weight of 917.13 g/mol, XLogP of 17.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole is sourced from PubChem (CID 59702533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).