9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole

C120H84N4O5P4 — CID 159051293

IUPAC9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
SMILESO=P(c1ccccc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C42H29N2OP.C42H31NO2P2.C36H24NO2P/c45-46(32-12-2-1-3-13-32,33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44;44-46(33-15-5-1-6-16-33,34-17-7-2-8-18-34)37-27-25-32(26-28-37)43-41-24-14-13-23-39(41)40-31-38(29-30-42(40)43)47(45,35-19-9-3-10-20-35)36-21-11-4-12-22-36;38-40(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-20-22-36-32(24-28)31-23-25(19-21-35(31)39-36)37-33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-29H;1-31H;1-24H
InChIKeyJXHKBEPGXRFVML-UHFFFAOYSA-N
MW1785.91 g/mol
LogP25.91
Rot. Bonds16

About 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole

9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole (PubChem CID 159051293) has the molecular formula C120H84N4O5P4 and a molecular weight of 1785.91 g/mol. Its IUPAC name is 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
PubChem CID159051293
Molecular FormulaC120H84N4O5P4
Molecular Weight1785.91 g/mol
Exact Mass1784.54
IUPAC Name9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
SMILESO=P(c1ccccc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C42H29N2OP.C42H31NO2P2.C36H24NO2P/c45-46(32-12-2-1-3-13-32,33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44;44-46(33-15-5-1-6-16-33,34-17-7-2-8-18-34)37-27-25-32(26-28-37)43-41-24-14-13-23-39(41)40-31-38(29-30-42(40)43)47(45,35-19-9-3-10-20-35)36-21-11-4-12-22-36;38-40(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-20-22-36-32(24-28)31-23-25(19-21-35(31)39-36)37-33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-29H;1-31H;1-24H
InChIKeyJXHKBEPGXRFVML-UHFFFAOYSA-N
XLogP25.91
TPSA101.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001785.91
LogP ≤ 525.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

9-[8-[2-(8-carbazol-9-yldibenzofuran-2-yl)-4-diphenylphosphorylphenyl]dibenzofuran-2-yl]carbazole
CID 90352223
5-di(dibenzofuran-2-yl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742029
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
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
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole?
The IUPAC name of 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole (CID 159051293) is 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole.
What is the SMILES notation for 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole?
The canonical SMILES for 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole is O=P(c1ccccc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole?
The InChIKey is JXHKBEPGXRFVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N2OP.C42H31NO2P2.C36H24NO2P/c45-46(32-12-2-1-3-13-32,33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44;44-46(33-15-5-1-6-16-33,34-17-7-2-8-18-34)37-27-25-32(26-28-37)43-41-24-14-13-23-39(41)40-31-38(29-30-42(40)43)47(45,35-19-9-3-10-20-35)36-21-11-4-12-22-36;38-40(26-11-3-1-4-12-26,27-13-5-2-6-14-27)28-20-22-36-32(24-28)31-23-25(19-21-35(31)39-36)37-33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-29H;1-31H;1-24H.
What are the key properties of 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole?
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole has a molecular weight of 1785.91 g/mol, XLogP of 25.91, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole is sourced from PubChem (CID 159051293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).