10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide

C62H47F4NO4P2 — CID 130198875

IUPAC10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccc(P3(=O)c4cc(F)ccc4Oc4ccc(F)cc43)cc2)cc(-c2ccc(P3(=O)c4cc(F)ccc4Oc4ccc(F)cc43)cc2)c1
InChIInChI=1S/C62H47F4NO4P2/c1-61(2,3)40-11-21-51-49(30-40)50-31-41(62(4,5)6)12-22-52(50)67(51)46-28-38(36-7-17-47(18-8-36)72(68)57-32-42(63)13-23-53(57)70-54-24-14-43(64)33-58(54)72)27-39(29-46)37-9-19-48(20-10-37)73(69)59-34-44(65)15-25-55(59)71-56-26-16-45(66)35-60(56)73/h7-35H,1-6H3
InChIKeyMUJOMXWCKPWPBN-UHFFFAOYSA-N
MW1008.00 g/mol
LogP14.76
Rot. Bonds5

About 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide

10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide (PubChem CID 130198875) has the molecular formula C62H47F4NO4P2 and a molecular weight of 1008.00 g/mol. Its IUPAC name is 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide
PubChem CID130198875
Molecular FormulaC62H47F4NO4P2
Molecular Weight1008.00 g/mol
Exact Mass1007.29
IUPAC Name10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccc(P3(=O)c4cc(F)ccc4Oc4ccc(F)cc43)cc2)cc(-c2ccc(P3(=O)c4cc(F)ccc4Oc4ccc(F)cc43)cc2)c1
InChIInChI=1S/C62H47F4NO4P2/c1-61(2,3)40-11-21-51-49(30-40)50-31-41(62(4,5)6)12-22-52(50)67(51)46-28-38(36-7-17-47(18-8-36)72(68)57-32-42(63)13-23-53(57)70-54-24-14-43(64)33-58(54)72)27-39(29-46)37-9-19-48(20-10-37)73(69)59-34-44(65)15-25-55(59)71-56-26-16-45(66)35-60(56)73/h7-35H,1-6H3
InChIKeyMUJOMXWCKPWPBN-UHFFFAOYSA-N
XLogP14.76
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.00
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide?
The IUPAC name of 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide (CID 130198875) is 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide.
What is the SMILES notation for 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide?
The canonical SMILES for 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccc(P3(=O)c4cc(F)ccc4Oc4ccc(F)cc43)cc2)cc(-c2ccc(P3(=O)c4cc(F)ccc4Oc4ccc(F)cc43)cc2)c1.
What is the InChIKey of 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide?
The InChIKey is MUJOMXWCKPWPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47F4NO4P2/c1-61(2,3)40-11-21-51-49(30-40)50-31-41(62(4,5)6)12-22-52(50)67(51)46-28-38(36-7-17-47(18-8-36)72(68)57-32-42(63)13-23-53(57)70-54-24-14-43(64)33-58(54)72)27-39(29-46)37-9-19-48(20-10-37)73(69)59-34-44(65)15-25-55(59)71-56-26-16-45(66)35-60(56)73/h7-35H,1-6H3.
What are the key properties of 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide?
10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide has a molecular weight of 1008.00 g/mol, XLogP of 14.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(2,8-difluoro-10-oxophenoxaphosphinin-10-yl)phenyl]phenyl]phenyl]-2,8-difluorophenoxaphosphinine 10-oxide is sourced from PubChem (CID 130198875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).