3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine

C126H78F10N4O3 — CID 172547004

About 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine

3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine (PubChem CID 172547004) has the molecular formula C126H78F10N4O3 and a molecular weight of 1886.01 g/mol. Its IUPAC name is 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine.

Molecular Properties

• Compound Name: 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
• PubChem CID: 172547004
• Molecular Formula: C126H78F10N4O3
• Molecular Weight: 1886.01 g/mol
• Exact Mass: 1884.59
• IUPAC Name: 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4c(F)cc(F)cc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc(N(c7ccc(F)cc7)c7ccc8c(c7)oc7cc(N(c9ccc(F)cc9)c9ccc(-c%10ccc(N(c%11ccc(F)cc%11)c%11ccc%12c(c%11)C(c%11ccc(Oc%13ccc(C=C)cc%13)cc%11)(c%11c(F)cc(F)cc%11F)c%11ccccc%11-%12)cc%10)cc9)ccc78)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C126H78F10N4O3/c1-3-77-13-57-103(58-14-77)141-105-61-25-83(26-62-105)125(123-117(133)69-89(131)70-118(123)134)113-11-7-5-9-107(113)109-65-53-99(73-115(109)125)137(95-45-29-85(127)30-46-95)91-37-17-79(18-38-91)81-21-41-93(42-22-81)139(97-49-33-87(129)34-50-97)101-55-67-111-112-68-56-102(76-122(112)143-121(111)75-101)140(98-51-35-88(130)36-52-98)94-43-23-82(24-44-94)80-19-39-92(40-20-80)138(96-47-31-86(128)32-48-96)100-54-66-110-108-10-6-8-12-114(108)126(116(110)74-100,124-119(135)71-90(132)72-120(124)136)84-27-63-106(64-28-84)142-104-59-15-78(4-2)16-60-104/h3-76H,1-2H2
• InChIKey: BUHSDGVHHUARLF-UHFFFAOYSA-N
• XLogP: 35.79
• TPSA: 44.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1886.01
LogP ≤ 5	35.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?

The IUPAC name of 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine (CID 172547004) is 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine.

What is the SMILES notation for 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?

The canonical SMILES for 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine is C=Cc1ccc(Oc2ccc(C3(c4c(F)cc(F)cc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc(N(c7ccc(F)cc7)c7ccc8c(c7)oc7cc(N(c9ccc(F)cc9)c9ccc(-c%10ccc(N(c%11ccc(F)cc%11)c%11ccc%12c(c%11)C(c%11ccc(Oc%13ccc(C=C)cc%13)cc%11)(c%11c(F)cc(F)cc%11F)c%11ccccc%11-%12)cc%10)cc9)ccc78)cc6)cc5)cc43)cc2)cc1.

What is the InChIKey of 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?

The InChIKey is BUHSDGVHHUARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H78F10N4O3/c1-3-77-13-57-103(58-14-77)141-105-61-25-83(26-62-105)125(123-117(133)69-89(131)70-118(123)134)113-11-7-5-9-107(113)109-65-53-99(73-115(109)125)137(95-45-29-85(127)30-46-95)91-37-17-79(18-38-91)81-21-41-93(42-22-81)139(97-49-33-87(129)34-50-97)101-55-67-111-112-68-56-102(76-122(112)143-121(111)75-101)140(98-51-35-88(130)36-52-98)94-43-23-82(24-44-94)80-19-39-92(40-20-80)138(96-47-31-86(128)32-48-96)100-54-66-110-108-10-6-8-12-114(108)126(116(110)74-100,124-119(135)71-90(132)72-120(124)136)84-27-63-106(64-28-84)142-104-59-15-78(4-2)16-60-104/h3-76H,1-2H2.

What are the key properties of 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?

3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine has a molecular weight of 1886.01 g/mol, XLogP of 35.79, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 172547004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).