(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane

C51H34N3O2P — CID 140617424

IUPAC(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane
SMILESc1ccc(-n2c3ccccc3c3cc(OP(Oc4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc(-c5nccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C51H34N3O2P/c1-3-16-37(17-4-1)53-48-25-12-10-23-44(48)46-33-39(27-29-49(46)53)55-57(41-20-13-15-36(32-41)51-42-21-8-7-14-35(42)30-31-52-51)56-40-26-28-45-43-22-9-11-24-47(43)54(50(45)34-40)38-18-5-2-6-19-38/h1-34H
InChIKeyCWEGKUZEEGFBNT-UHFFFAOYSA-N
MW751.83 g/mol
LogP13.19
Rot. Bonds8

About (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane

(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane (PubChem CID 140617424) has the molecular formula C51H34N3O2P and a molecular weight of 751.83 g/mol. Its IUPAC name is (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane.

Molecular Properties

Compound Name(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane
PubChem CID140617424
Molecular FormulaC51H34N3O2P
Molecular Weight751.83 g/mol
Exact Mass751.24
IUPAC Name(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane
SMILESc1ccc(-n2c3ccccc3c3cc(OP(Oc4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc(-c5nccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C51H34N3O2P/c1-3-16-37(17-4-1)53-48-25-12-10-23-44(48)46-33-39(27-29-49(46)53)55-57(41-20-13-15-36(32-41)51-42-21-8-7-14-35(42)30-31-52-51)56-40-26-28-45-43-22-9-11-24-47(43)54(50(45)34-40)38-18-5-2-6-19-38/h1-34H
InChIKeyCWEGKUZEEGFBNT-UHFFFAOYSA-N
XLogP13.19
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.83
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
CID 140607078
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-(3-isoquinolin-1-ylphenyl)phenyl]carbazole
CID 59512962
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
CID 129290243
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130326265
5-[4-(9-phenylcarbazol-2-yl)pteridin-2-yl]benzo[b]carbazole
CID 139361350
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159

Frequently Asked Questions

What is the IUPAC name of (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane?
The IUPAC name of (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane (CID 140617424) is (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane.
What is the SMILES notation for (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane?
The canonical SMILES for (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane is c1ccc(-n2c3ccccc3c3cc(OP(Oc4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc(-c5nccc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane?
The InChIKey is CWEGKUZEEGFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N3O2P/c1-3-16-37(17-4-1)53-48-25-12-10-23-44(48)46-33-39(27-29-49(46)53)55-57(41-20-13-15-36(32-41)51-42-21-8-7-14-35(42)30-31-52-51)56-40-26-28-45-43-22-9-11-24-47(43)54(50(45)34-40)38-18-5-2-6-19-38/h1-34H.
What are the key properties of (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane?
(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane has a molecular weight of 751.83 g/mol, XLogP of 13.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane is sourced from PubChem (CID 140617424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).