N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine

C126H88N2O2 — CID 139504762

About N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine

N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine (PubChem CID 139504762) has the molecular formula C126H88N2O2 and a molecular weight of 1662.10 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
• PubChem CID: 139504762
• Molecular Formula: C126H88N2O2
• Molecular Weight: 1662.10 g/mol
• Exact Mass: 1660.68
• IUPAC Name: N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(-c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)cc9)c9ccc(-c%10cccc(-c%11ccccc%11)c%10)cc9)ccc7-8)cc6)c5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)cc21
• InChI: InChI=1S/C126H88N2O2/c1-125(2)117-75-99(82-19-9-6-10-20-82)53-67-109(117)111-71-65-107(79-119(111)125)127(104-59-47-87(48-60-104)84-31-37-92(38-32-84)101-55-69-115-113-25-11-13-27-121(113)129-123(115)77-101)103-57-45-86(46-58-103)83-29-35-89(36-30-83)96-22-16-23-97(74-96)90-41-43-91(44-42-90)100-54-68-110-112-72-66-108(80-120(112)126(3,4)118(110)76-100)128(106-63-51-94(52-64-106)98-24-15-21-95(73-98)81-17-7-5-8-18-81)105-61-49-88(50-62-105)85-33-39-93(40-34-85)102-56-70-116-114-26-12-14-28-122(114)130-124(116)78-102/h5-80H,1-4H3
• InChIKey: LGRGUEJFCGNCJP-UHFFFAOYSA-N
• XLogP: 35.37
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1662.10
LogP ≤ 5	35.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The IUPAC name of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine (CID 139504762) is N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The canonical SMILES for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(-c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)cc9)c9ccc(-c%10cccc(-c%11ccccc%11)c%10)cc9)ccc7-8)cc6)c5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)cc21.

What is the InChIKey of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The InChIKey is LGRGUEJFCGNCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H88N2O2/c1-125(2)117-75-99(82-19-9-6-10-20-82)53-67-109(117)111-71-65-107(79-119(111)125)127(104-59-47-87(48-60-104)84-31-37-92(38-32-84)101-55-69-115-113-25-11-13-27-121(113)129-123(115)77-101)103-57-45-86(46-58-103)83-29-35-89(36-30-83)96-22-16-23-97(74-96)90-41-43-91(44-42-90)100-54-68-110-112-72-66-108(80-120(112)126(3,4)118(110)76-100)128(106-63-51-94(52-64-106)98-24-15-21-95(73-98)81-17-7-5-8-18-81)105-61-49-88(50-62-105)85-33-39-93(40-34-85)102-56-70-116-114-26-12-14-28-122(114)130-124(116)78-102/h5-80H,1-4H3.

What are the key properties of N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine has a molecular weight of 1662.10 g/mol, XLogP of 35.37, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 139504762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).