1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene

C109H124 — CID 59289101

IUPAC1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
SMILESCCC(CC(CC(CC)c1ccccc1)c1ccc(C(CC(CC)c2ccccc2)CC(CC(CC(C)c2ccccc2)c2ccc(CCC(C)c3ccccc3)cc2)c2ccc(C(CC(CC(C)c3ccccc3)c3ccccc3)CC(CC(CC)c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C109H124/c1-8-85(92-45-27-15-28-46-92)73-105(74-86(9-2)93-47-29-16-30-48-93)99-63-65-100(66-64-99)107(76-88(11-4)95-51-33-18-34-52-95)80-109(78-104(72-83(7)91-43-25-14-26-44-91)98-61-59-84(60-62-98)58-57-81(5)89-39-21-12-22-40-89)102-69-67-101(68-70-102)108(77-103(96-53-35-19-36-54-96)71-82(6)90-41-23-13-24-42-90)79-106(97-55-37-20-38-56-97)75-87(10-3)94-49-31-17-32-50-94/h12-56,59-70,81-83,85-88,103-109H,8-11,57-58,71-80H2,1-7H3
InChIKeyMYYPPRDQLVYTRH-UHFFFAOYSA-N
MW1434.19 g/mol
LogP31.09
Rot. Bonds41

About 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene

1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene (PubChem CID 59289101) has the molecular formula C109H124 and a molecular weight of 1434.19 g/mol. Its IUPAC name is 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene.

Molecular Properties

Compound Name1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
PubChem CID59289101
Molecular FormulaC109H124
Molecular Weight1434.19 g/mol
Exact Mass1432.97
IUPAC Name1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
SMILESCCC(CC(CC(CC)c1ccccc1)c1ccc(C(CC(CC)c2ccccc2)CC(CC(CC(C)c2ccccc2)c2ccc(CCC(C)c3ccccc3)cc2)c2ccc(C(CC(CC(C)c3ccccc3)c3ccccc3)CC(CC(CC)c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C109H124/c1-8-85(92-45-27-15-28-46-92)73-105(74-86(9-2)93-47-29-16-30-48-93)99-63-65-100(66-64-99)107(76-88(11-4)95-51-33-18-34-52-95)80-109(78-104(72-83(7)91-43-25-14-26-44-91)98-61-59-84(60-62-98)58-57-81(5)89-39-21-12-22-40-89)102-69-67-101(68-70-102)108(77-103(96-53-35-19-36-54-96)71-82(6)90-41-23-13-24-42-90)79-106(97-55-37-20-38-56-97)75-87(10-3)94-49-31-17-32-50-94/h12-56,59-70,81-83,85-88,103-109H,8-11,57-58,71-80H2,1-7H3
InChIKeyMYYPPRDQLVYTRH-UHFFFAOYSA-N
XLogP31.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds41
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001434.19
LogP ≤ 531.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene with MolForge

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Related Compounds

1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
1-[[4-[4-[4-(chloromethyl)phenyl]-6-phenyloctan-2-yl]phenyl]methyl]pyridin-1-ium
CID 58454581
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
4,7-diphenyloctan-2-ylbenzene
CID 21184937
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene?
The IUPAC name of 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene (CID 59289101) is 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene.
What is the SMILES notation for 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene?
The canonical SMILES for 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene is CCC(CC(CC(CC)c1ccccc1)c1ccc(C(CC(CC)c2ccccc2)CC(CC(CC(C)c2ccccc2)c2ccc(CCC(C)c3ccccc3)cc2)c2ccc(C(CC(CC(C)c3ccccc3)c3ccccc3)CC(CC(CC)c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene?
The InChIKey is MYYPPRDQLVYTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H124/c1-8-85(92-45-27-15-28-46-92)73-105(74-86(9-2)93-47-29-16-30-48-93)99-63-65-100(66-64-99)107(76-88(11-4)95-51-33-18-34-52-95)80-109(78-104(72-83(7)91-43-25-14-26-44-91)98-61-59-84(60-62-98)58-57-81(5)89-39-21-12-22-40-89)102-69-67-101(68-70-102)108(77-103(96-53-35-19-36-54-96)71-82(6)90-41-23-13-24-42-90)79-106(97-55-37-20-38-56-97)75-87(10-3)94-49-31-17-32-50-94/h12-56,59-70,81-83,85-88,103-109H,8-11,57-58,71-80H2,1-7H3.
What are the key properties of 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene?
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene has a molecular weight of 1434.19 g/mol, XLogP of 31.09, 41 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene is sourced from PubChem (CID 59289101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).