N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide

C162H258N2O8 — CID 102295418

IUPACN-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide
SMILESCCCCCCCCCCCCOc1cc(C(=O)Nc2ccc3c(c2)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c2cc(-c4ccc(-c5ccc6c(c5)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c5cc(NC(=O)c7cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c7)ccc5-6)c5ccccc45)ccc2-3)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
InChIInChI=1S/C162H258N2O8/c1-19-25-31-37-43-49-55-61-67-75-113-167-153-121-137(122-154(168-114-76-68-62-56-50-44-38-32-26-20-2)157(153)171-117-79-71-65-59-53-47-41-35-29-23-5)159(165)163-139-97-101-147-145-99-95-135(119-149(145)161(151(147)125-139,109-105-131(15)89-81-85-127(7)8)110-106-132(16)90-82-86-128(9)10)141-103-104-142(144-94-74-73-93-143(141)144)136-96-100-146-148-102-98-140(126-152(148)162(150(146)120-136,111-107-133(17)91-83-87-129(11)12)112-108-134(18)92-84-88-130(13)14)164-160(166)138-123-155(169-115-77-69-63-57-51-45-39-33-27-21-3)158(172-118-80-72-66-60-54-48-42-36-30-24-6)156(124-138)170-116-78-70-64-58-52-46-40-34-28-22-4/h73-74,93-104,119-134H,19-72,75-92,105-118H2,1-18H3,(H,163,165)(H,164,166)/t131-,132-,133-,134-/m0/s1
InChIKeyYQMYIBFHUJLLHB-FKHPFIRDSA-N
MW2361.85 g/mol
LogP51.98
Rot. Bonds106

About N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide

N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide (PubChem CID 102295418) has the molecular formula C162H258N2O8 and a molecular weight of 2361.85 g/mol. Its IUPAC name is N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide.

Molecular Properties

Compound NameN-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide
PubChem CID102295418
Molecular FormulaC162H258N2O8
Molecular Weight2361.85 g/mol
Exact Mass2359.98
IUPAC NameN-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide
SMILESCCCCCCCCCCCCOc1cc(C(=O)Nc2ccc3c(c2)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c2cc(-c4ccc(-c5ccc6c(c5)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c5cc(NC(=O)c7cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c7)ccc5-6)c5ccccc45)ccc2-3)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
InChIInChI=1S/C162H258N2O8/c1-19-25-31-37-43-49-55-61-67-75-113-167-153-121-137(122-154(168-114-76-68-62-56-50-44-38-32-26-20-2)157(153)171-117-79-71-65-59-53-47-41-35-29-23-5)159(165)163-139-97-101-147-145-99-95-135(119-149(145)161(151(147)125-139,109-105-131(15)89-81-85-127(7)8)110-106-132(16)90-82-86-128(9)10)141-103-104-142(144-94-74-73-93-143(141)144)136-96-100-146-148-102-98-140(126-152(148)162(150(146)120-136,111-107-133(17)91-83-87-129(11)12)112-108-134(18)92-84-88-130(13)14)164-160(166)138-123-155(169-115-77-69-63-57-51-45-39-33-27-21-3)158(172-118-80-72-66-60-54-48-42-36-30-24-6)156(124-138)170-116-78-70-64-58-52-46-40-34-28-22-4/h73-74,93-104,119-134H,19-72,75-92,105-118H2,1-18H3,(H,163,165)(H,164,166)/t131-,132-,133-,134-/m0/s1
InChIKeyYQMYIBFHUJLLHB-FKHPFIRDSA-N
XLogP51.98
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds106
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002361.85
LogP ≤ 551.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide with MolForge

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Related Compounds

N-[3,5-bis[[3,4,5-tris(3,7-dimethyloctoxy)benzoyl]amino]phenyl]-3,4,5-tris(3,7-dimethyloctoxy)benzamide
CID 74975190
3,4,5-trioctoxy-N-[4-[2-[4-[4-[(3,4,5-trioctoxybenzoyl)amino]phenyl]-6-[4-[4-[(3,4,5-trioctoxybenzoyl)amino]phenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]phenyl]benzamide
CID 101482613
1-N,3-N,5-N-tris[2-[3-[[3,4,5-tris[(3R)-3,7-dimethyloctoxy]benzoyl]amino]-2-pyridinyl]-3-pyridinyl]benzene-1,3,5-tricarboxamide
CID 177485443
9-(4,8-dimethylnonyl)-9-(3,7-dimethyloctyl)fluorene-2,7-dicarboxylic acid
CID 142837471
3,4,5-tris[(3R)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide
CID 87306703
1-[(3,4,5-tris-decoxybenzoyl)amino]-3-[4-[[(3,4,5-tris-decoxybenzoyl)amino]carbamoylamino]phenyl]urea
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N-(3,5-diaminophenyl)-3,4-dihexadecoxy-5-pentadecoxybenzamide
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3,4,5-tridodecoxy-N-[4-[2-[4-[2-(4-sulfanylphenyl)ethynyl]phenyl]ethynyl]phenyl]benzamide
CID 132606320
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4,5-tridodecoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide?
The IUPAC name of N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide (CID 102295418) is N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide.
What is the SMILES notation for N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide?
The canonical SMILES for N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide is CCCCCCCCCCCCOc1cc(C(=O)Nc2ccc3c(c2)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c2cc(-c4ccc(-c5ccc6c(c5)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c5cc(NC(=O)c7cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c7)ccc5-6)c5ccccc45)ccc2-3)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.
What is the InChIKey of N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide?
The InChIKey is YQMYIBFHUJLLHB-FKHPFIRDSA-N. The full InChI is InChI=1S/C162H258N2O8/c1-19-25-31-37-43-49-55-61-67-75-113-167-153-121-137(122-154(168-114-76-68-62-56-50-44-38-32-26-20-2)157(153)171-117-79-71-65-59-53-47-41-35-29-23-5)159(165)163-139-97-101-147-145-99-95-135(119-149(145)161(151(147)125-139,109-105-131(15)89-81-85-127(7)8)110-106-132(16)90-82-86-128(9)10)141-103-104-142(144-94-74-73-93-143(141)144)136-96-100-146-148-102-98-140(126-152(148)162(150(146)120-136,111-107-133(17)91-83-87-129(11)12)112-108-134(18)92-84-88-130(13)14)164-160(166)138-123-155(169-115-77-69-63-57-51-45-39-33-27-21-3)158(172-118-80-72-66-60-54-48-42-36-30-24-6)156(124-138)170-116-78-70-64-58-52-46-40-34-28-22-4/h73-74,93-104,119-134H,19-72,75-92,105-118H2,1-18H3,(H,163,165)(H,164,166)/t131-,132-,133-,134-/m0/s1.
What are the key properties of N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide?
N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide has a molecular weight of 2361.85 g/mol, XLogP of 51.98, 106 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-[(3,4,5-tridodecoxybenzoyl)amino]fluoren-2-yl]naphthalen-1-yl]-9,9-bis[(3S)-3,7-dimethyloctyl]fluoren-2-yl]-3,4,5-tridodecoxybenzamide is sourced from PubChem (CID 102295418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).