9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole

C60H30F18N3OP — CID 138749634

IUPAC9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESO=P(c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1)(c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1)c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C60H30F18N3OP/c61-55(62,63)31-1-19-43-44-20-2-32(56(64,65)66)26-50(44)79(49(43)25-31)37-7-13-40(14-8-37)83(82,41-15-9-38(10-16-41)80-51-27-33(57(67,68)69)3-21-45(51)46-22-4-34(28-52(46)80)58(70,71)72)42-17-11-39(12-18-42)81-53-29-35(59(73,74)75)5-23-47(53)48-24-6-36(30-54(48)81)60(76,77)78/h1-30H
InChIKeyNCPHFNXRAUJHIC-UHFFFAOYSA-N
MW1181.86 g/mol
LogP18.73
Rot. Bonds6

About 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole

9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 138749634) has the molecular formula C60H30F18N3OP and a molecular weight of 1181.86 g/mol. Its IUPAC name is 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID138749634
Molecular FormulaC60H30F18N3OP
Molecular Weight1181.86 g/mol
Exact Mass1181.18
IUPAC Name9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
SMILESO=P(c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1)(c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1)c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C60H30F18N3OP/c61-55(62,63)31-1-19-43-44-20-2-32(56(64,65)66)26-50(44)79(49(43)25-31)37-7-13-40(14-8-37)83(82,41-15-9-38(10-16-41)80-51-27-33(57(67,68)69)3-21-45(51)46-22-4-34(28-52(46)80)58(70,71)72)42-17-11-39(12-18-42)81-53-29-35(59(73,74)75)5-23-47(53)48-24-6-36(30-54(48)81)60(76,77)78/h1-30H
InChIKeyNCPHFNXRAUJHIC-UHFFFAOYSA-N
XLogP18.73
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.86
LogP ≤ 518.73
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-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
2,7-dibromo-9-[4-(trifluoromethyl)phenyl]carbazole
CID 102260661
2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene
CID 88865311
2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
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
2-bis(4-methylphenyl)phosphoryl-7-bis[4-(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865175
[4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane
CID 90275936
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
CID 167454748
9-[5-[3-[2,7-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-bis[4-(trifluoromethyl)phenyl]carbazole
CID 147940441
5-bis(4-phenylphenyl)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 138742058

Frequently Asked Questions

What is the IUPAC name of 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole (CID 138749634) is 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole is O=P(c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1)(c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1)c1ccc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1.
What is the InChIKey of 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is NCPHFNXRAUJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30F18N3OP/c61-55(62,63)31-1-19-43-44-20-2-32(56(64,65)66)26-50(44)79(49(43)25-31)37-7-13-40(14-8-37)83(82,41-15-9-38(10-16-41)80-51-27-33(57(67,68)69)3-21-45(51)46-22-4-34(28-52(46)80)58(70,71)72)42-17-11-39(12-18-42)81-53-29-35(59(73,74)75)5-23-47(53)48-24-6-36(30-54(48)81)60(76,77)78/h1-30H.
What are the key properties of 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole?
9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 1181.86 g/mol, XLogP of 18.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138749634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).