[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone

C69H32F24N4O — CID 142301710

IUPAC[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2c3c(c4ccc(C(F)(F)F)cc42)CC(n2c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc42)C(C(F)(F)F)=C3)cc1)c1ccc(-n2c3cc(C(F)(F)F)ccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)cc1
InChIInChI=1S/C69H32F24N4O/c70-62(71,72)33-9-19-45-47-27-59(96-53-23-35(64(76,77)78)5-15-41(53)42-16-6-36(24-54(42)96)65(79,80)81)49(68(88,89)90)29-57(47)94(51(45)21-33)39-11-1-31(2-12-39)61(98)32-3-13-40(14-4-32)95-52-22-34(63(73,74)75)10-20-46(52)48-28-60(50(30-58(48)95)69(91,92)93)97-55-25-37(66(82,83)84)7-17-43(55)44-18-8-38(26-56(44)97)67(85,86)87/h1-27,29-30,60H,28H2
InChIKeyPNEKBETVEIGQRU-UHFFFAOYSA-N
MW1388.99 g/mol
LogP23.04
Rot. Bonds6

About [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone

[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone (PubChem CID 142301710) has the molecular formula C69H32F24N4O and a molecular weight of 1388.99 g/mol. Its IUPAC name is [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone
PubChem CID142301710
Molecular FormulaC69H32F24N4O
Molecular Weight1388.99 g/mol
Exact Mass1388.22
IUPAC Name[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2c3c(c4ccc(C(F)(F)F)cc42)CC(n2c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc42)C(C(F)(F)F)=C3)cc1)c1ccc(-n2c3cc(C(F)(F)F)ccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)cc1
InChIInChI=1S/C69H32F24N4O/c70-62(71,72)33-9-19-45-47-27-59(96-53-23-35(64(76,77)78)5-15-41(53)42-16-6-36(24-54(42)96)65(79,80)81)49(68(88,89)90)29-57(47)94(51(45)21-33)39-11-1-31(2-12-39)61(98)32-3-13-40(14-4-32)95-52-22-34(63(73,74)75)10-20-46(52)48-28-60(50(30-58(48)95)69(91,92)93)97-55-25-37(66(82,83)84)7-17-43(55)44-18-8-38(26-56(44)97)67(85,86)87/h1-27,29-30,60H,28H2
InChIKeyPNEKBETVEIGQRU-UHFFFAOYSA-N
XLogP23.04
TPSA36.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001388.99
LogP ≤ 523.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone?
The IUPAC name of [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone (CID 142301710) is [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone.
What is the SMILES notation for [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone?
The canonical SMILES for [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone is O=C(c1ccc(-n2c3c(c4ccc(C(F)(F)F)cc42)CC(n2c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc42)C(C(F)(F)F)=C3)cc1)c1ccc(-n2c3cc(C(F)(F)F)ccc3c3cc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)c(C(F)(F)F)cc32)cc1.
What is the InChIKey of [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone?
The InChIKey is PNEKBETVEIGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H32F24N4O/c70-62(71,72)33-9-19-45-47-27-59(96-53-23-35(64(76,77)78)5-15-41(53)42-16-6-36(24-54(42)96)65(79,80)81)49(68(88,89)90)29-57(47)94(51(45)21-33)39-11-1-31(2-12-39)61(98)32-3-13-40(14-4-32)95-52-22-34(63(73,74)75)10-20-46(52)48-28-60(50(30-58(48)95)69(91,92)93)97-55-25-37(66(82,83)84)7-17-43(55)44-18-8-38(26-56(44)97)67(85,86)87/h1-27,29-30,60H,28H2.
What are the key properties of [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone?
[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone has a molecular weight of 1388.99 g/mol, XLogP of 23.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]-[4-[3-[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,7-bis(trifluoromethyl)-3,4-dihydrocarbazol-9-yl]phenyl]methanone is sourced from PubChem (CID 142301710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).