N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine

C172H136N6O4 — CID 146369394

About N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine

N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine (PubChem CID 146369394) has the molecular formula C172H136N6O4 and a molecular weight of 2351.02 g/mol. Its IUPAC name is N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine
• PubChem CID: 146369394
• Molecular Formula: C172H136N6O4
• Molecular Weight: 2351.02 g/mol
• Exact Mass: 2349.06
• IUPAC Name: N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine
• SMILES: C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(COCc7ccc(COCc8ccc(-n9c%10ccccc%10c%10cc(-c%11ccc(N(c%12ccc(-c%13ccc%14c(c%13)C(CCCCCCOc%13ccc(C=C)cc%13)(c%13ccccc%13)c%13ccccc%13-%14)cc%12)c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cc%11)ccc%109)cc8)cc7)cc6)cc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C172H136N6O4/c1-3-119-65-95-145(96-66-119)181-107-35-7-5-33-105-171(133-37-13-9-14-38-133)159-51-27-21-45-147(159)149-99-77-131(111-161(149)171)127-73-89-139(90-74-127)173(143-93-101-155-151-47-23-29-53-163(151)177(169(155)113-143)135-41-17-11-18-42-135)137-85-69-125(70-86-137)129-79-103-167-157(109-129)153-49-25-31-55-165(153)175(167)141-81-61-123(62-82-141)117-179-115-121-57-59-122(60-58-121)116-180-118-124-63-83-142(84-64-124)176-166-56-32-26-50-154(166)158-110-130(80-104-168(158)176)126-71-87-138(88-72-126)174(144-94-102-156-152-48-24-30-54-164(152)178(170(156)114-144)136-43-19-12-20-44-136)140-91-75-128(76-92-140)132-78-100-150-148-46-22-28-52-160(148)172(162(150)112-132,134-39-15-10-16-40-134)106-34-6-8-36-108-182-146-97-67-120(4-2)68-98-146/h3-4,9-32,37-104,109-114H,1-2,5-8,33-36,105-108,115-118H2
• InChIKey: GMRXGHKMSNYCAI-UHFFFAOYSA-N
• XLogP: 45.09
• TPSA: 63.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 42
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2351.02
LogP ≤ 5	45.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine?

The IUPAC name of N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine (CID 146369394) is N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine.

What is the SMILES notation for N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine?

The canonical SMILES for N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine is C=Cc1ccc(OCCCCCCC2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(COCc7ccc(COCc8ccc(-n9c%10ccccc%10c%10cc(-c%11ccc(N(c%12ccc(-c%13ccc%14c(c%13)C(CCCCCCOc%13ccc(C=C)cc%13)(c%13ccccc%13)c%13ccccc%13-%14)cc%12)c%12ccc%13c%14ccccc%14n(-c%14ccccc%14)c%13c%12)cc%11)ccc%109)cc8)cc7)cc6)cc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc32)cc1.

What is the InChIKey of N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine?

The InChIKey is GMRXGHKMSNYCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C172H136N6O4/c1-3-119-65-95-145(96-66-119)181-107-35-7-5-33-105-171(133-37-13-9-14-38-133)159-51-27-21-45-147(159)149-99-77-131(111-161(149)171)127-73-89-139(90-74-127)173(143-93-101-155-151-47-23-29-53-163(151)177(169(155)113-143)135-41-17-11-18-42-135)137-85-69-125(70-86-137)129-79-103-167-157(109-129)153-49-25-31-55-165(153)175(167)141-81-61-123(62-82-141)117-179-115-121-57-59-122(60-58-121)116-180-118-124-63-83-142(84-64-124)176-166-56-32-26-50-154(166)158-110-130(80-104-168(158)176)126-71-87-138(88-72-126)174(144-94-102-156-152-48-24-30-54-164(152)178(170(156)114-144)136-43-19-12-20-44-136)140-91-75-128(76-92-140)132-78-100-150-148-46-22-28-52-160(148)172(162(150)112-132,134-39-15-10-16-40-134)106-34-6-8-36-108-182-146-97-67-120(4-2)68-98-146/h3-4,9-32,37-104,109-114H,1-2,5-8,33-36,105-108,115-118H2.

What are the key properties of N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine?

N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine has a molecular weight of 2351.02 g/mol, XLogP of 45.09, 42 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]phenyl]-N-[4-[9-[4-[[4-[[4-[3-[4-[4-[9-[6-(4-ethenylphenoxy)hexyl]-9-phenylfluoren-2-yl]-N-(9-phenylcarbazol-2-yl)anilino]phenyl]carbazol-9-yl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 146369394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).