9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole

C80H57NO3P2 — CID 118438937

IUPAC9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESCc1cc(C)cc(-n2c3ccc(-c4cccc(-c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)c4)cc3c3cc(P(=O)(c4ccccc4)c4ccc5oc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6c5c4)ccc32)c1
InChIInChI=1S/C80H57NO3P2/c1-54-46-55(2)48-60(47-54)81-77-42-38-58(57-24-21-25-59(49-57)68-33-16-18-35-70(68)72-37-20-19-36-71(72)69-34-17-15-32-67(69)56-22-7-3-8-23-56)50-73(77)74-51-64(39-43-78(74)81)86(83,63-30-13-6-14-31-63)66-41-45-80-76(53-66)75-52-65(40-44-79(75)84-80)85(82,61-26-9-4-10-27-61)62-28-11-5-12-29-62/h3-53H,1-2H3
InChIKeyQBTXLSJYWDDFIC-UHFFFAOYSA-N
MW1142.29 g/mol
LogP18.91
Rot. Bonds12

About 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole

9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 118438937) has the molecular formula C80H57NO3P2 and a molecular weight of 1142.29 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID118438937
Molecular FormulaC80H57NO3P2
Molecular Weight1142.29 g/mol
Exact Mass1141.38
IUPAC Name9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESCc1cc(C)cc(-n2c3ccc(-c4cccc(-c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)c4)cc3c3cc(P(=O)(c4ccccc4)c4ccc5oc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6c5c4)ccc32)c1
InChIInChI=1S/C80H57NO3P2/c1-54-46-55(2)48-60(47-54)81-77-42-38-58(57-24-21-25-59(49-57)68-33-16-18-35-70(68)72-37-20-19-36-71(72)69-34-17-15-32-67(69)56-22-7-3-8-23-56)50-73(77)74-51-64(39-43-78(74)81)86(83,63-30-13-6-14-31-63)66-41-45-80-76(53-66)75-52-65(40-44-79(75)84-80)85(82,61-26-9-4-10-27-61)62-28-11-5-12-29-62/h3-53H,1-2H3
InChIKeyQBTXLSJYWDDFIC-UHFFFAOYSA-N
XLogP18.91
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.29
LogP ≤ 518.91
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-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;9-dibenzofuran-2-yl-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]carbazole;3-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 159899948
9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-diphenylphosphorylphenyl]dibenzofuran-2-yl]carbazole
CID 90352223
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
9-(3-dibenzofuran-4-ylphenyl)-3-[3-(3-phenylphenyl)phenyl]carbazole;9-(3-dibenzofuran-4-ylphenyl)-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;3-diphenylphosphoryl-9-[3-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]phenyl]carbazole;3-phenyl-9-[5-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-3-pyridinyl]carbazole;3-phenyl-9-[3-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole;triphenyl-[9-[3-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]phenyl]carbazol-3-yl]silane
CID 162030021
2,8-dimethyldibenzofuran;3,6-dimethyl-9-phenylcarbazole;2-methyl-8-(8-methyldibenzofuran-2-yl)dibenzofuran;3-methyl-6-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;2-methyl-8-[3-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran;3-methyl-6-[8-(6-methyl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2-methyl-8-(3-methylphenyl)dibenzofuran
CID 160962329
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran
CID 160797510
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-(2-dibenzofuran-2-ylphenyl)-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169284782

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole (CID 118438937) is 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole is Cc1cc(C)cc(-n2c3ccc(-c4cccc(-c5ccccc5-c5ccccc5-c5ccccc5-c5ccccc5)c4)cc3c3cc(P(=O)(c4ccccc4)c4ccc5oc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6c5c4)ccc32)c1.
What is the InChIKey of 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is QBTXLSJYWDDFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H57NO3P2/c1-54-46-55(2)48-60(47-54)81-77-42-38-58(57-24-21-25-59(49-57)68-33-16-18-35-70(68)72-37-20-19-36-71(72)69-34-17-15-32-67(69)56-22-7-3-8-23-56)50-73(77)74-51-64(39-43-78(74)81)86(83,63-30-13-6-14-31-63)66-41-45-80-76(53-66)75-52-65(40-44-79(75)84-80)85(82,61-26-9-4-10-27-61)62-28-11-5-12-29-62/h3-53H,1-2H3.
What are the key properties of 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole?
9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 1142.29 g/mol, XLogP of 18.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)-3-[(8-diphenylphosphoryldibenzofuran-2-yl)-phenylphosphoryl]-6-[3-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 118438937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).