3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C56H34N2 — CID 158617691

IUPAC3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
SMILESC#Cc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C56H34N2/c1-2-36-22-24-37(25-23-36)38-12-11-13-41(32-38)57-53-20-9-7-18-48(53)51-33-39(26-30-55(51)57)40-27-31-56-52(34-40)49-19-8-10-21-54(49)58(56)42-28-29-47-45-16-4-3-14-43(45)44-15-5-6-17-46(44)50(47)35-42/h1,3-35H
InChIKeyZGNBDNGSDIPFDT-UHFFFAOYSA-N
MW734.90 g/mol
LogP14.66
Rot. Bonds4

About 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 158617691) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
PubChem CID158617691
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
SMILESC#Cc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C56H34N2/c1-2-36-22-24-37(25-23-36)38-12-11-13-41(32-38)57-53-20-9-7-18-48(53)51-33-39(26-30-55(51)57)40-27-31-56-52(34-40)49-19-8-10-21-54(49)58(56)42-28-29-47-45-16-4-3-14-43(45)44-15-5-6-17-46(44)50(47)35-42/h1,3-35H
InChIKeyZGNBDNGSDIPFDT-UHFFFAOYSA-N
XLogP14.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 158617691) is 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole is C#Cc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The InChIKey is ZGNBDNGSDIPFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2/c1-2-36-22-24-37(25-23-36)38-12-11-13-41(32-38)57-53-20-9-7-18-48(53)51-33-39(26-30-55(51)57)40-27-31-56-52(34-40)49-19-8-10-21-54(49)58(56)42-28-29-47-45-16-4-3-14-43(45)44-15-5-6-17-46(44)50(47)35-42/h1,3-35H.
What are the key properties of 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 734.90 g/mol, XLogP of 14.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 158617691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).