N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

C118H80N2O2 — CID 174277929

About N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 174277929) has the molecular formula C118H80N2O2 and a molecular weight of 1557.95 g/mol. Its IUPAC name is N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
• PubChem CID: 174277929
• Molecular Formula: C118H80N2O2
• Molecular Weight: 1557.95 g/mol
• Exact Mass: 1556.62
• IUPAC Name: N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4oc5cc6ccc(-c7ccc8c(c7)C(C)(C)c7c(-c9ccc(N(c%10ccc(-c%11cccc(-c%12ccc%13ccccc%13c%12)c%11)cc%10)c%10ccccc%10-c%10cccc%11oc%12cc%13ccccc%13cc%12c%10%11)cc9)cccc7-8)cc6cc5c34)cc21
• InChI: InChI=1S/C118H80N2O2/c1-117(2)105-39-14-11-31-95(105)96-63-61-91(72-107(96)117)120(90-57-50-76(51-58-90)93-34-18-27-75-23-9-10-30-92(75)93)109-41-16-13-33-99(109)101-37-21-43-111-115(101)104-68-87-66-84(46-47-86(87)71-113(104)122-111)85-54-62-97-102-38-19-35-94(116(102)118(3,4)106(97)69-85)77-52-59-89(60-53-77)119(88-55-48-74(49-56-88)79-28-17-29-80(64-79)83-45-44-73-22-5-6-24-78(73)65-83)108-40-15-12-32-98(108)100-36-20-42-110-114(100)103-67-81-25-7-8-26-82(81)70-112(103)121-110/h5-72H,1-4H3
• InChIKey: QJFMAYRBNASXNM-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1557.95
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?

The IUPAC name of N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (CID 174277929) is N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4oc5cc6ccc(-c7ccc8c(c7)C(C)(C)c7c(-c9ccc(N(c%10ccc(-c%11cccc(-c%12ccc%13ccccc%13c%12)c%11)cc%10)c%10ccccc%10-c%10cccc%11oc%12cc%13ccccc%13cc%12c%10%11)cc9)cccc7-8)cc6cc5c34)cc21.

What is the InChIKey of N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?

The InChIKey is QJFMAYRBNASXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H80N2O2/c1-117(2)105-39-14-11-31-95(105)96-63-61-91(72-107(96)117)120(90-57-50-76(51-58-90)93-34-18-27-75-23-9-10-30-92(75)93)109-41-16-13-33-99(109)101-37-21-43-111-115(101)104-68-87-66-84(46-47-86(87)71-113(104)122-111)85-54-62-97-102-38-19-35-94(116(102)118(3,4)106(97)69-85)77-52-59-89(60-53-77)119(88-55-48-74(49-56-88)79-28-17-29-80(64-79)83-45-44-73-22-5-6-24-78(73)65-83)108-40-15-12-32-98(108)100-36-20-42-110-114(100)103-67-81-25-7-8-26-82(81)70-112(103)121-110/h5-72H,1-4H3.

What are the key properties of N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?

N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 1557.95 g/mol, XLogP of 33.32, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[9-[9,9-dimethyl-8-[4-[4-(3-naphthalen-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anilino]phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 174277929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).