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

C75H42F8N4O2 — CID 130251698

IUPACN-[4-[2,7-bis(4-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(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)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)84-47-27-23-45(24-28-47)75(46-25-29-48(30-26-46)85-74(89)58-40-62(77)70(81)72(83)68(58)79)59-37-43(41-17-31-49(32-18-41)86-63-13-5-1-9-53(63)54-10-2-6-14-64(54)86)21-35-51(59)52-36-22-44(38-60(52)75)42-19-33-50(34-20-42)87-65-15-7-3-11-55(65)56-12-4-8-16-66(56)87/h1-40H,(H,84,88)(H,85,89)
InChIKeyYFDYFQHJMMIXOP-UHFFFAOYSA-N
MW1183.17 g/mol
LogP19.20
Rot. Bonds10

About N-[4-[2,7-bis(4-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(4-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 130251698) has the molecular formula C75H42F8N4O2 and a molecular weight of 1183.17 g/mol. Its IUPAC name is N-[4-[2,7-bis(4-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(4-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID130251698
Molecular FormulaC75H42F8N4O2
Molecular Weight1183.17 g/mol
Exact Mass1182.32
IUPAC NameN-[4-[2,7-bis(4-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(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)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)84-47-27-23-45(24-28-47)75(46-25-29-48(30-26-46)85-74(89)58-40-62(77)70(81)72(83)68(58)79)59-37-43(41-17-31-49(32-18-41)86-63-13-5-1-9-53(63)54-10-2-6-14-64(54)86)21-35-51(59)52-36-22-44(38-60(52)75)42-19-33-50(34-20-42)87-65-15-7-3-11-55(65)56-12-4-8-16-66(56)87/h1-40H,(H,84,88)(H,85,89)
InChIKeyYFDYFQHJMMIXOP-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'}

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,7-bis(4-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(4-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide (CID 130251698) is N-[4-[2,7-bis(4-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(4-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(4-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(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[4-[2,7-bis(4-carbazol-9-ylphenyl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is YFDYFQHJMMIXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H42F8N4O2/c76-61-39-57(67(78)71(82)69(61)80)73(88)84-47-27-23-45(24-28-47)75(46-25-29-48(30-26-46)85-74(89)58-40-62(77)70(81)72(83)68(58)79)59-37-43(41-17-31-49(32-18-41)86-63-13-5-1-9-53(63)54-10-2-6-14-64(54)86)21-35-51(59)52-36-22-44(38-60(52)75)42-19-33-50(34-20-42)87-65-15-7-3-11-55(65)56-12-4-8-16-66(56)87/h1-40H,(H,84,88)(H,85,89).
What are the key properties of N-[4-[2,7-bis(4-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(4-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(4-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 130251698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).