N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide

C75H42F8N4O2 — CID 130251378

IUPACN-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1ccc(C2(c3ccc(NC(=O)c4cc(F)c(F)c(F)c4F)cc3)c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C75H42F8N4O2/c76-61-39-57(67(78)71(82)69(61)80)73(88)84-47-29-25-45(26-30-47)75(46-27-31-48(32-28-46)85-74(89)58-40-62(77)70(81)72(83)68(58)79)59-37-43(41-11-9-13-49(35-41)86-63-19-5-1-15-53(63)54-16-2-6-20-64(54)86)23-33-51(59)52-34-24-44(38-60(52)75)42-12-10-14-50(36-42)87-65-21-7-3-17-55(65)56-18-4-8-22-66(56)87/h1-40H,(H,84,88)(H,85,89)
InChIKeyJBYSRSHFXNYMNE-UHFFFAOYSA-N
MW1183.17 g/mol
LogP19.20
Rot. Bonds10

About N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide

N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 130251378) has the molecular formula C75H42F8N4O2 and a molecular weight of 1183.17 g/mol. Its IUPAC name is N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID130251378
Molecular FormulaC75H42F8N4O2
Molecular Weight1183.17 g/mol
Exact Mass1182.32
IUPAC NameN-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(Nc1ccc(C2(c3ccc(NC(=O)c4cc(F)c(F)c(F)c4F)cc3)c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C75H42F8N4O2/c76-61-39-57(67(78)71(82)69(61)80)73(88)84-47-29-25-45(26-30-47)75(46-27-31-48(32-28-46)85-74(89)58-40-62(77)70(81)72(83)68(58)79)59-37-43(41-11-9-13-49(35-41)86-63-19-5-1-15-53(63)54-16-2-6-20-64(54)86)23-33-51(59)52-34-24-44(38-60(52)75)42-12-10-14-50(36-42)87-65-21-7-3-17-55(65)56-18-4-8-22-66(56)87/h1-40H,(H,84,88)(H,85,89)
InChIKeyJBYSRSHFXNYMNE-UHFFFAOYSA-N
XLogP19.20
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.17
LogP ≤ 519.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide (CID 130251378) is N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide is O=C(Nc1ccc(C2(c3ccc(NC(=O)c4cc(F)c(F)c(F)c4F)cc3)c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc32)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is JBYSRSHFXNYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H42F8N4O2/c76-61-39-57(67(78)71(82)69(61)80)73(88)84-47-29-25-45(26-30-47)75(46-27-31-48(32-28-46)85-74(89)58-40-62(77)70(81)72(83)68(58)79)59-37-43(41-11-9-13-49(35-41)86-63-19-5-1-15-53(63)54-16-2-6-20-64(54)86)23-33-51(59)52-34-24-44(38-60(52)75)42-12-10-14-50(36-42)87-65-21-7-3-17-55(65)56-18-4-8-22-66(56)87/h1-40H,(H,84,88)(H,85,89).
What are the key properties of N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 1183.17 g/mol, XLogP of 19.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,7-bis(3-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 130251378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).