9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole

C56H36N2 — CID 58879522

IUPAC9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole
SMILESc1ccc2c(c1)cc(-c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc12
InChIInChI=1S/C56H36N2/c1-2-14-43-40(13-1)36-52(46-16-4-3-15-45(43)46)51-35-39(37-25-30-41(31-26-37)57-53-21-9-5-17-47(53)48-18-6-10-22-54(48)57)29-34-44(51)38-27-32-42(33-28-38)58-55-23-11-7-19-49(55)50-20-8-12-24-56(50)58/h1-36H
InChIKeyBJPFQVHLZOPUNM-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.19
Rot. Bonds5

About 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole

9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole (PubChem CID 58879522) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole
PubChem CID58879522
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole
SMILESc1ccc2c(c1)cc(-c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc12
InChIInChI=1S/C56H36N2/c1-2-14-43-40(13-1)36-52(46-16-4-3-15-45(43)46)51-35-39(37-25-30-41(31-26-37)57-53-21-9-5-17-47(53)48-18-6-10-22-54(48)57)29-34-44(51)38-27-32-42(33-28-38)58-55-23-11-7-19-49(55)50-20-8-12-24-56(50)58/h1-36H
InChIKeyBJPFQVHLZOPUNM-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813
9-[4-[3-(4-carbazol-9-ylphenyl)-4-(2,4,5-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943753
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
9-[4-[4-(4-carbazol-9-ylphenyl)-2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58879507
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,4,6-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943784
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole (CID 58879522) is 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole is c1ccc2c(c1)cc(-c1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc12.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole?
The InChIKey is BJPFQVHLZOPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-2-14-43-40(13-1)36-52(46-16-4-3-15-45(43)46)51-35-39(37-25-30-41(31-26-37)57-53-21-9-5-17-47(53)48-18-6-10-22-54(48)57)29-34-44(51)38-27-32-42(33-28-38)58-55-23-11-7-19-49(55)50-20-8-12-24-56(50)58/h1-36H.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole?
9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole has a molecular weight of 736.92 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-phenanthren-9-ylphenyl]phenyl]carbazole is sourced from PubChem (CID 58879522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).