2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole

C186H140N5O5P5 — CID 164994259

IUPAC2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C60H49N.C42H29N2OP.2C42H31NO2P2/c1-58(2,3)44-34-38-53(39-35-44)61-56-40-36-51(59(45-22-10-4-11-23-45,46-24-12-5-13-25-46)47-26-14-6-15-27-47)42-54(56)55-43-52(37-41-57(55)61)60(48-28-16-7-17-29-48,49-30-18-8-19-31-49)50-32-20-9-21-33-50;45-46(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43;44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-41-39(30-37)40-31-38(27-29-42(40)43(41)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36;44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-39-40-29-27-38(31-42(40)43(41(39)30-37)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h4-43H,1-3H3;1-29H;2*1-31H
InChIKeyHHZBRXNHUGPBDU-UHFFFAOYSA-N
MW2680.07 g/mol
LogP40.49
Rot. Bonds28

About 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole

2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole (PubChem CID 164994259) has the molecular formula C186H140N5O5P5 and a molecular weight of 2680.07 g/mol. Its IUPAC name is 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole.

Molecular Properties

Compound Name2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
PubChem CID164994259
Molecular FormulaC186H140N5O5P5
Molecular Weight2680.07 g/mol
Exact Mass2677.95
IUPAC Name2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C60H49N.C42H29N2OP.2C42H31NO2P2/c1-58(2,3)44-34-38-53(39-35-44)61-56-40-36-51(59(45-22-10-4-11-23-45,46-24-12-5-13-25-46)47-26-14-6-15-27-47)42-54(56)55-43-52(37-41-57(55)61)60(48-28-16-7-17-29-48,49-30-18-8-19-31-49)50-32-20-9-21-33-50;45-46(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43;44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-41-39(30-37)40-31-38(27-29-42(40)43(41)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36;44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-39-40-29-27-38(31-42(40)43(41(39)30-37)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h4-43H,1-3H3;1-29H;2*1-31H
InChIKeyHHZBRXNHUGPBDU-UHFFFAOYSA-N
XLogP40.49
TPSA110.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms201
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002680.07
LogP ≤ 540.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole?
The IUPAC name of 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole (CID 164994259) is 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole.
What is the SMILES notation for 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole?
The canonical SMILES for 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole is CC(C)(C)c1ccc(-n2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole?
The InChIKey is HHZBRXNHUGPBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N.C42H29N2OP.2C42H31NO2P2/c1-58(2,3)44-34-38-53(39-35-44)61-56-40-36-51(59(45-22-10-4-11-23-45,46-24-12-5-13-25-46)47-26-14-6-15-27-47)42-54(56)55-43-52(37-41-57(55)61)60(48-28-16-7-17-29-48,49-30-18-8-19-31-49)50-32-20-9-21-33-50;45-46(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-26-27-42-38(29-34)37-22-9-12-25-41(37)44(42)31-15-13-14-30(28-31)43-39-23-10-7-20-35(39)36-21-8-11-24-40(36)43;44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-41-39(30-37)40-31-38(27-29-42(40)43(41)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36;44-46(33-18-8-2-9-19-33,34-20-10-3-11-21-34)37-26-28-39-40-29-27-38(31-42(40)43(41(39)30-37)32-16-6-1-7-17-32)47(45,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h4-43H,1-3H3;1-29H;2*1-31H.
What are the key properties of 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole?
2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole has a molecular weight of 2680.07 g/mol, XLogP of 40.49, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole is sourced from PubChem (CID 164994259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).