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

C75H42F8N4O2 — CID 130251298

IUPACN-[4-[2,7-bis(9-phenylcarbazol-3-yl)-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(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)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(41-21-33-65-55(35-41)53-15-7-9-17-63(53)86(65)49-11-3-1-4-12-49)19-31-51(59)52-32-20-44(38-60(52)75)42-22-34-66-56(36-42)54-16-8-10-18-64(54)87(66)50-13-5-2-6-14-50/h1-40H,(H,84,88)(H,85,89)
InChIKeyKDQJAHQDMHPMBC-UHFFFAOYSA-N
MW1183.17 g/mol
LogP19.20
Rot. Bonds10

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

N-[4-[2,7-bis(9-phenylcarbazol-3-yl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 130251298) has the molecular formula C75H42F8N4O2 and a molecular weight of 1183.17 g/mol. Its IUPAC name is N-[4-[2,7-bis(9-phenylcarbazol-3-yl)-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(9-phenylcarbazol-3-yl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID130251298
Molecular FormulaC75H42F8N4O2
Molecular Weight1183.17 g/mol
Exact Mass1182.32
IUPAC NameN-[4-[2,7-bis(9-phenylcarbazol-3-yl)-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(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)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(41-21-33-65-55(35-41)53-15-7-9-17-63(53)86(65)49-11-3-1-4-12-49)19-31-51(59)52-32-20-44(38-60(52)75)42-22-34-66-56(36-42)54-16-8-10-18-64(54)87(66)50-13-5-2-6-14-50/h1-40H,(H,84,88)(H,85,89)
InChIKeyKDQJAHQDMHPMBC-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(9-phenylcarbazol-3-yl)-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(9-phenylcarbazol-3-yl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide (CID 130251298) is N-[4-[2,7-bis(9-phenylcarbazol-3-yl)-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(9-phenylcarbazol-3-yl)-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(9-phenylcarbazol-3-yl)-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(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[4-[2,7-bis(9-phenylcarbazol-3-yl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is KDQJAHQDMHPMBC-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(41-21-33-65-55(35-41)53-15-7-9-17-63(53)86(65)49-11-3-1-4-12-49)19-31-51(59)52-32-20-44(38-60(52)75)42-22-34-66-56(36-42)54-16-8-10-18-64(54)87(66)50-13-5-2-6-14-50/h1-40H,(H,84,88)(H,85,89).
What are the key properties of N-[4-[2,7-bis(9-phenylcarbazol-3-yl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide?
N-[4-[2,7-bis(9-phenylcarbazol-3-yl)-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(9-phenylcarbazol-3-yl)-9-[4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]fluoren-9-yl]phenyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 130251298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).