N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine

C170H185N3 — CID 155761640

About N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine

N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine (PubChem CID 155761640) has the molecular formula C170H185N3 and a molecular weight of 2270.37 g/mol. Its IUPAC name is N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
• PubChem CID: 155761640
• Molecular Formula: C170H185N3
• Molecular Weight: 2270.37 g/mol
• Exact Mass: 2268.46
• IUPAC Name: N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
• SMILES: CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)cc3C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(C(C)(c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)cc7)cc6)c6ccc(-c7cc8c(c9ccccc79)CC8)cc6)cc5)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)cc3C)cc21
• InChI: InChI=1S/C170H185N3/c1-12-20-28-50-106-167(107-51-29-21-13-2)158-67-47-44-64-149(158)154-103-95-141(119-163(154)167)171(135-58-38-36-39-59-135)137-89-76-126(77-90-137)124-70-83-132(84-71-124)166(11,134-87-74-128(75-88-134)157-116-129-80-98-146(129)147-62-42-43-63-148(147)157)133-85-72-125(73-86-133)127-78-91-138(92-79-127)173(143-97-105-156-151-66-46-49-69-160(151)169(165(156)121-143,110-54-32-24-16-5)111-55-33-25-17-6)140-94-102-145(123(10)115-140)131-82-100-153-152-99-81-130(117-161(152)170(162(153)118-131,112-56-34-26-18-7)113-57-35-27-19-8)144-101-93-139(114-122(144)9)172(136-60-40-37-41-61-136)142-96-104-155-150-65-45-48-68-159(150)168(164(155)120-142,108-52-30-22-14-3)109-53-31-23-15-4/h36-49,58-79,81-97,99-105,114-121H,12-35,50-57,80,98,106-113H2,1-11H3
• InChIKey: DXTXNYVOSAGQQF-UHFFFAOYSA-N
• XLogP: 50.48
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 57
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2270.37
LogP ≤ 5	50.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine (CID 155761640) is N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)cc3C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(C(C)(c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C(CCCCCC)(CCCCCC)c8ccccc8-9)cc7)cc6)c6ccc(-c7cc8c(c9ccccc79)CC8)cc6)cc5)cc4)c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)cc3C)cc21.

What is the InChIKey of N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine?

The InChIKey is DXTXNYVOSAGQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H185N3/c1-12-20-28-50-106-167(107-51-29-21-13-2)158-67-47-44-64-149(158)154-103-95-141(119-163(154)167)171(135-58-38-36-39-59-135)137-89-76-126(77-90-137)124-70-83-132(84-71-124)166(11,134-87-74-128(75-88-134)157-116-129-80-98-146(129)147-62-42-43-63-148(147)157)133-85-72-125(73-86-133)127-78-91-138(92-79-127)173(143-97-105-156-151-66-46-49-69-160(151)169(165(156)121-143,110-54-32-24-16-5)111-55-33-25-17-6)140-94-102-145(123(10)115-140)131-82-100-153-152-99-81-130(117-161(152)170(162(153)118-131,112-56-34-26-18-7)113-57-35-27-19-8)144-101-93-139(114-122(144)9)172(136-60-40-37-41-61-136)142-96-104-155-150-65-45-48-68-159(150)168(164(155)120-142,108-52-30-22-14-3)109-53-31-23-15-4/h36-49,58-79,81-97,99-105,114-121H,12-35,50-57,80,98,106-113H2,1-11H3.

What are the key properties of N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine?

N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine has a molecular weight of 2270.37 g/mol, XLogP of 50.48, 57 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[7-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)-2-methylphenyl]-9,9-dihexylfluoren-2-yl]-3-methylanilino]phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 155761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).