9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole

C55H35N3 — CID 139500868

IUPAC9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C55H35N3/c1-2-16-36(17-3-1)38-34-50(56-55(35-38)58-53-28-14-10-24-47(53)48-25-11-15-29-54(48)58)40-30-39(49-33-37-18-4-5-19-42(37)43-20-6-7-21-44(43)49)31-41(32-40)57-51-26-12-8-22-45(51)46-23-9-13-27-52(46)57/h1-35H
InChIKeyLHXSUUQHRCWVEB-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.58
Rot. Bonds5

About 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole

9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole (PubChem CID 139500868) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole
PubChem CID139500868
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C55H35N3/c1-2-16-36(17-3-1)38-34-50(56-55(35-38)58-53-28-14-10-24-47(53)48-25-11-15-29-54(48)58)40-30-39(49-33-37-18-4-5-19-42(37)43-20-6-7-21-44(43)49)31-41(32-40)57-51-26-12-8-22-45(51)46-23-9-13-27-52(46)57/h1-35H
InChIKeyLHXSUUQHRCWVEB-UHFFFAOYSA-N
XLogP14.58
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(6-carbazol-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]carbazole
CID 139500953
9-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500830
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 71286768
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500861
9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500855
9-[3-phenanthren-9-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
CID 139500561
15-(3,5-diphenylphenyl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenyl-2-pyridinyl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 159032917
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
9-[3-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 58693128
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole (CID 139500868) is 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole is c1ccc(-c2cc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole?
The InChIKey is LHXSUUQHRCWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-2-16-36(17-3-1)38-34-50(56-55(35-38)58-53-28-14-10-24-47(53)48-25-11-15-29-54(48)58)40-30-39(49-33-37-18-4-5-19-42(37)43-20-6-7-21-44(43)49)31-41(32-40)57-51-26-12-8-22-45(51)46-23-9-13-27-52(46)57/h1-35H.
What are the key properties of 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole?
9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole has a molecular weight of 737.91 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole is sourced from PubChem (CID 139500868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).