2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine

C117H82F4N4 — CID 172546940

IUPAC2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESC=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(F)cc7)c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(C=C)cc8)c8ccccc8-9)cc7)ccc5-6)cc4)cc32)cc1
InChIInChI=1S/C117H82F4N4/c1-5-77-25-33-83(34-26-77)116(85-37-41-87(118)42-38-85)109-23-15-13-21-103(109)107-71-67-101(75-113(107)116)122(91-49-29-81(30-50-91)79-17-9-7-10-18-79)95-57-61-97(62-58-95)124(93-53-45-89(120)46-54-93)99-65-69-105-106-70-66-100(74-112(106)115(3,4)111(105)73-99)125(94-55-47-90(121)48-56-94)98-63-59-96(60-64-98)123(92-51-31-82(32-52-92)80-19-11-8-12-20-80)102-68-72-108-104-22-14-16-24-110(104)117(114(108)76-102,86-39-43-88(119)44-40-86)84-35-27-78(6-2)28-36-84/h5-76H,1-2H2,3-4H3
InChIKeyKRPAGYFJPQCBMC-UHFFFAOYSA-N
MW1619.96 g/mol
LogP31.77
Rot. Bonds20

About 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine

2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine (PubChem CID 172546940) has the molecular formula C117H82F4N4 and a molecular weight of 1619.96 g/mol. Its IUPAC name is 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
PubChem CID172546940
Molecular FormulaC117H82F4N4
Molecular Weight1619.96 g/mol
Exact Mass1618.65
IUPAC Name2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESC=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(F)cc7)c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(C=C)cc8)c8ccccc8-9)cc7)ccc5-6)cc4)cc32)cc1
InChIInChI=1S/C117H82F4N4/c1-5-77-25-33-83(34-26-77)116(85-37-41-87(118)42-38-85)109-23-15-13-21-103(109)107-71-67-101(75-113(107)116)122(91-49-29-81(30-50-91)79-17-9-7-10-18-79)95-57-61-97(62-58-95)124(93-53-45-89(120)46-54-93)99-65-69-105-106-70-66-100(74-112(106)115(3,4)111(105)73-99)125(94-55-47-90(121)48-56-94)98-63-59-96(60-64-98)123(92-51-31-82(32-52-92)80-19-11-8-12-20-80)102-68-72-108-104-22-14-16-24-110(104)117(114(108)76-102,86-39-43-88(119)44-40-86)84-35-27-78(6-2)28-36-84/h5-76H,1-2H2,3-4H3
InChIKeyKRPAGYFJPQCBMC-UHFFFAOYSA-N
XLogP31.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.96
LogP ≤ 531.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine with MolForge

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Related Compounds

9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
CID 163500868
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
CID 166686283
9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(3-fluorophenyl)fluoren-2-yl]-9-(3-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 170541554
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[4-[9-[4-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]phenyl]-N,9-bis(4-fluorophenyl)fluoren-2-amine
CID 172547006
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 139340690
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 146516509
9-[4-(4-ethenylphenyl)sulfanylphenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenyl)sulfanylphenyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146516601
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[3-[9-[3-(N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]anilino)phenyl]fluoren-9-yl]phenyl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 172547054
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9-(4-fluorophenyl)fluoren-2-amine
CID 169286424
N,N-bis[9-(2,6-difluorophenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-amine
CID 169286504

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine (CID 172546940) is 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine is C=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(F)cc7)c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(C=C)cc8)c8ccccc8-9)cc7)ccc5-6)cc4)cc32)cc1.
What is the InChIKey of 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is KRPAGYFJPQCBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H82F4N4/c1-5-77-25-33-83(34-26-77)116(85-37-41-87(118)42-38-85)109-23-15-13-21-103(109)107-71-67-101(75-113(107)116)122(91-49-29-81(30-50-91)79-17-9-7-10-18-79)95-57-61-97(62-58-95)124(93-53-45-89(120)46-54-93)99-65-69-105-106-70-66-100(74-112(106)115(3,4)111(105)73-99)125(94-55-47-90(121)48-56-94)98-63-59-96(60-64-98)123(92-51-31-82(32-52-92)80-19-11-8-12-20-80)102-68-72-108-104-22-14-16-24-110(104)117(114(108)76-102,86-39-43-88(119)44-40-86)84-35-27-78(6-2)28-36-84/h5-76H,1-2H2,3-4H3.
What are the key properties of 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine?
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 1619.96 g/mol, XLogP of 31.77, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 172546940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).