N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine

C123H76N4O3 — CID 174289441

About N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine

N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 174289441) has the molecular formula C123H76N4O3 and a molecular weight of 1657.99 g/mol. Its IUPAC name is N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine
• PubChem CID: 174289441
• Molecular Formula: C123H76N4O3
• Molecular Weight: 1657.99 g/mol
• Exact Mass: 1656.59
• IUPAC Name: N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4cccc5c4oc4c6cc(-c7cccc8c7oc7cc(-c9ccc(N(c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c%10ccccc%10-c%10cccc%11c%10oc%10c%12ccccc%12ccc%11%10)cc9)ccc78)ccc6ccc54)cccc32)cc1
• InChI: InChI=1S/C123H76N4O3/c1-3-28-82(29-4-1)123(83-30-5-2-6-31-83)107-46-16-9-39-105(107)117-108(123)47-26-54-115(117)127(88-70-68-87(69-71-88)126-112-51-20-12-35-93(112)94-36-13-21-52-113(94)126)114-53-22-15-38-96(114)99-42-25-45-102-104-74-60-79-55-56-81(75-106(79)122(104)130-121(99)102)90-40-23-43-100-97-72-61-80(76-116(97)128-118(90)100)77-57-62-84(63-58-77)124(85-64-66-86(67-65-85)125-110-49-18-10-33-91(110)92-34-11-19-50-111(92)125)109-48-17-14-37-95(109)98-41-24-44-101-103-73-59-78-27-7-8-32-89(78)119(103)129-120(98)101/h1-76H
• InChIKey: DOLVZXKSFVWJES-UHFFFAOYSA-N
• XLogP: 33.86
• TPSA: 55.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.99
LogP ≤ 5	33.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine?

The IUPAC name of N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 174289441) is N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine.

What is the SMILES notation for N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine?

The canonical SMILES for N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4cccc5c4oc4c6cc(-c7cccc8c7oc7cc(-c9ccc(N(c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c%10ccccc%10-c%10cccc%11c%10oc%10c%12ccccc%12ccc%11%10)cc9)ccc78)ccc6ccc54)cccc32)cc1.

What is the InChIKey of N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine?

The InChIKey is DOLVZXKSFVWJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H76N4O3/c1-3-28-82(29-4-1)123(83-30-5-2-6-31-83)107-46-16-9-39-105(107)117-108(123)47-26-54-115(117)127(88-70-68-87(69-71-88)126-112-51-20-12-35-93(112)94-36-13-21-52-113(94)126)114-53-22-15-38-96(114)99-42-25-45-102-104-74-60-79-55-56-81(75-106(79)122(104)130-121(99)102)90-40-23-43-100-97-72-61-80(76-116(97)128-118(90)100)77-57-62-84(63-58-77)124(85-64-66-86(67-65-85)125-110-49-18-10-33-91(110)92-34-11-19-50-111(92)125)109-48-17-14-37-95(109)98-41-24-44-101-103-73-59-78-27-7-8-32-89(78)119(103)129-120(98)101/h1-76H.

What are the key properties of N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine?

N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 1657.99 g/mol, XLogP of 33.86, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 174289441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).