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

C72H48N3OP — CID 58251526

IUPAC9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole
SMILESO=P(c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1)(c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C72H48N3OP/c76-77(70-34-16-7-19-55(70)49-37-43-52(44-38-49)73-64-28-10-1-22-58(64)59-23-2-11-29-65(59)73,71-35-17-8-20-56(71)50-39-45-53(46-40-50)74-66-30-12-3-24-60(66)61-25-4-13-31-67(61)74)72-36-18-9-21-57(72)51-41-47-54(48-42-51)75-68-32-14-5-26-62(68)63-27-6-15-33-69(63)75/h1-48H
InChIKeyIGQUNLAOGKDHCH-UHFFFAOYSA-N
MW1002.17 g/mol
LogP17.62
Rot. Bonds9

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

9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole (PubChem CID 58251526) has the molecular formula C72H48N3OP and a molecular weight of 1002.17 g/mol. Its IUPAC name is 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole
PubChem CID58251526
Molecular FormulaC72H48N3OP
Molecular Weight1002.17 g/mol
Exact Mass1001.35
IUPAC Name9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole
SMILESO=P(c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1)(c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C72H48N3OP/c76-77(70-34-16-7-19-55(70)49-37-43-52(44-38-49)73-64-28-10-1-22-58(64)59-23-2-11-29-65(59)73,71-35-17-8-20-56(71)50-39-45-53(46-40-50)74-66-30-12-3-24-60(66)61-25-4-13-31-67(61)74)72-36-18-9-21-57(72)51-41-47-54(48-42-51)75-68-32-14-5-26-62(68)63-27-6-15-33-69(63)75/h1-48H
InChIKeyIGQUNLAOGKDHCH-UHFFFAOYSA-N
XLogP17.62
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.17
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline
CID 58251538
2,5-bis(4-carbazol-9-ylphenyl)terephthalaldehyde
CID 164890506
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-3-isocyanocarbazole
CID 155604073
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604204
2,5-bis(4-carbazol-9-ylphenyl)thiophene 1,1-dioxide
CID 148909882

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole (CID 58251526) is 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole is O=P(c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1)(c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole?
The InChIKey is IGQUNLAOGKDHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N3OP/c76-77(70-34-16-7-19-55(70)49-37-43-52(44-38-49)73-64-28-10-1-22-58(64)59-23-2-11-29-65(59)73,71-35-17-8-20-56(71)50-39-45-53(46-40-50)74-66-30-12-3-24-60(66)61-25-4-13-31-67(61)74)72-36-18-9-21-57(72)51-41-47-54(48-42-51)75-68-32-14-5-26-62(68)63-27-6-15-33-69(63)75/h1-48H.
What are the key properties of 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole?
9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole has a molecular weight of 1002.17 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-bis[2-(4-carbazol-9-ylphenyl)phenyl]phosphorylphenyl]phenyl]carbazole is sourced from PubChem (CID 58251526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).