N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine

C146H115N9 — CID 166649425

About N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine

N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine (PubChem CID 166649425) has the molecular formula C146H115N9 and a molecular weight of 1995.59 g/mol. Its IUPAC name is N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
• PubChem CID: 166649425
• Molecular Formula: C146H115N9
• Molecular Weight: 1995.59 g/mol
• Exact Mass: 1993.93
• IUPAC Name: N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
• SMILES: CC1C=CC=CC1n1c2ccccc2c2cc(-c3ccc(N(c4ccc(-c5cccnc5)cc4)c4ccc5c(c4)C(C)(C)C4=C5C=CC(C)(c5ccc6c(c5)c5c(n6-c6ccccc6)C=CC(c6ccc(N(c7cccc(-c8cccnc8)c7)c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)c9cc(-c%11ccc(N(c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)c%12ccccn%12)cc%11)ccc9n%10C9=CCCC=C9)ccc7-8)cc6)C5)C4)cc3)ccc21
• InChI: InChI=1S/C146H115N9/c1-93-26-15-19-38-135(93)155-136-39-20-17-36-123(136)124-81-99(52-73-141(124)155)94-41-55-109(56-42-94)150(110-59-47-97(48-60-110)104-28-24-77-147-91-104)114-63-68-121-122-75-76-146(8,90-134(122)145(6,7)133(121)87-114)106-54-74-140-128(86-106)127-83-101(51-71-139(127)154(140)108-32-13-10-14-33-108)95-43-57-111(58-44-95)151(113-34-23-27-98(80-113)105-29-25-78-148-92-105)115-64-67-120-118-66-49-103(85-130(118)144(4,5)132(120)88-115)102-53-72-138-126(84-102)125-82-100(50-70-137(125)153(138)107-30-11-9-12-31-107)96-45-61-112(62-46-96)152(142-40-21-22-79-149-142)116-65-69-119-117-35-16-18-37-129(117)143(2,3)131(119)89-116/h10-11,13-82,84-89,91-93,101,135H,9,12,83,90H2,1-8H3
• InChIKey: UHAOIAMSVJJOGK-UHFFFAOYSA-N
• XLogP: 38.20
• TPSA: 63.18 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1995.59
LogP ≤ 5	38.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?

The IUPAC name of N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine (CID 166649425) is N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine.

What is the SMILES notation for N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?

The canonical SMILES for N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine is CC1C=CC=CC1n1c2ccccc2c2cc(-c3ccc(N(c4ccc(-c5cccnc5)cc4)c4ccc5c(c4)C(C)(C)C4=C5C=CC(C)(c5ccc6c(c5)c5c(n6-c6ccccc6)C=CC(c6ccc(N(c7cccc(-c8cccnc8)c7)c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)c9cc(-c%11ccc(N(c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)c%12ccccn%12)cc%11)ccc9n%10C9=CCCC=C9)ccc7-8)cc6)C5)C4)cc3)ccc21.

What is the InChIKey of N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?

The InChIKey is UHAOIAMSVJJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H115N9/c1-93-26-15-19-38-135(93)155-136-39-20-17-36-123(136)124-81-99(52-73-141(124)155)94-41-55-109(56-42-94)150(110-59-47-97(48-60-110)104-28-24-77-147-91-104)114-63-68-121-122-75-76-146(8,90-134(122)145(6,7)133(121)87-114)106-54-74-140-128(86-106)127-83-101(51-71-139(127)154(140)108-32-13-10-14-33-108)95-43-57-111(58-44-95)151(113-34-23-27-98(80-113)105-29-25-78-148-92-105)115-64-67-120-118-66-49-103(85-130(118)144(4,5)132(120)88-115)102-53-72-138-126(84-102)125-82-100(50-70-137(125)153(138)107-30-11-9-12-31-107)96-45-61-112(62-46-96)152(142-40-21-22-79-149-142)116-65-69-119-117-35-16-18-37-129(117)143(2,3)131(119)89-116/h10-11,13-82,84-89,91-93,101,135H,9,12,83,90H2,1-8H3.

What are the key properties of N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine?

N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine has a molecular weight of 1995.59 g/mol, XLogP of 38.20, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine is sourced from PubChem (CID 166649425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).