N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

C126H84N4O3 — CID 167095022

About N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (PubChem CID 167095022) has the molecular formula C126H84N4O3 and a molecular weight of 1702.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
• PubChem CID: 167095022
• Molecular Formula: C126H84N4O3
• Molecular Weight: 1702.08 g/mol
• Exact Mass: 1700.65
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
• SMILES: CC1(C)c2ccc(-c3ccc4oc5c(-c6ccc(N(c7cccc8c7-c7ccccc7C8(C)C)c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)cc6)cccc5c4c3)cc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)cc21
• InChI: InChI=1S/C126H84N4O3/c1-125(2)107-34-17-14-31-99(107)122-109(125)35-21-38-115(122)130(116-39-22-40-121-123(116)106-74-87(54-67-120(106)132-121)84-51-64-114-102(71-84)97-30-16-19-37-112(97)129(114)89-27-12-7-13-28-89)91-57-47-81(48-58-91)94-32-20-33-98-103-72-85(53-66-119(103)133-124(94)98)82-49-62-108-100(69-82)95-61-59-93(76-110(95)126(108,3)4)127(90-55-45-80(46-56-90)79-43-41-78(42-44-79)77-23-8-5-9-24-77)92-60-68-118-105(75-92)104-73-86(52-65-117(104)131-118)83-50-63-113-101(70-83)96-29-15-18-36-111(96)128(113)88-25-10-6-11-26-88/h5-76H,1-4H3
• InChIKey: MXBIIQDJOANNPH-UHFFFAOYSA-N
• XLogP: 35.13
• TPSA: 55.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1702.08
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (CID 167095022) is N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is CC1(C)c2ccc(-c3ccc4oc5c(-c6ccc(N(c7cccc8c7-c7ccccc7C8(C)C)c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)cc6)cccc5c4c3)cc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

The InChIKey is MXBIIQDJOANNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H84N4O3/c1-125(2)107-34-17-14-31-99(107)122-109(125)35-21-38-115(122)130(116-39-22-40-121-123(116)106-74-87(54-67-120(106)132-121)84-51-64-114-102(71-84)97-30-16-19-37-112(97)129(114)89-27-12-7-13-28-89)91-57-47-81(48-58-91)94-32-20-33-98-103-72-85(53-66-119(103)133-124(94)98)82-49-62-108-100(69-82)95-61-59-93(76-110(95)126(108,3)4)127(90-55-45-80(46-56-90)79-43-41-78(42-44-79)77-23-8-5-9-24-77)92-60-68-118-105(75-92)104-73-86(52-65-117(104)131-118)83-50-63-113-101(70-83)96-29-15-18-36-111(96)128(113)88-25-10-6-11-26-88/h5-76H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?

N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine has a molecular weight of 1702.08 g/mol, XLogP of 35.13, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 167095022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).