7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C162H131N3 — CID 155181927

IUPAC7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1ccccc1-c1cc(-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(C)cc(-c6cccc7ccccc67)cc5-c5c(C)cccc5C)ccc3-4)cc3ccccc23)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(C)c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccccc5)c4)c4ccccc4c3)ccc1-2
InChIInChI=1S/C162H131N3/c1-96-40-22-26-49-119(96)139-86-112(137-84-109(82-107-47-25-29-52-122(107)137)105-63-71-129-135-77-69-118(95-152(135)162(17,18)146(129)89-105)165(117-67-75-133-127-56-33-37-61-144(127)160(13,14)150(133)93-117)156-101(6)78-110(87-140(156)153-97(2)41-38-42-98(153)3)123-57-39-48-102-45-23-27-50-120(102)123)80-100(5)155(139)164(115-66-74-132-126-55-32-36-60-143(126)159(11,12)149(132)92-115)116-68-76-134-128-70-62-104(88-145(128)161(15,16)151(134)94-116)108-81-106-46-24-28-51-121(106)136(83-108)111-79-99(4)154(138(85-111)103-43-20-19-21-44-103)163(113-64-72-130-124-53-30-34-58-141(124)157(7,8)147(130)90-113)114-65-73-131-125-54-31-35-59-142(125)158(9,10)148(131)91-114/h19-95H,1-18H3
InChIKeyPHYGUKPJXFWIAR-UHFFFAOYSA-N
MW2119.85 g/mol
LogP44.58
Rot. Bonds17

About 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155181927) has the molecular formula C162H131N3 and a molecular weight of 2119.85 g/mol. Its IUPAC name is 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155181927
Molecular FormulaC162H131N3
Molecular Weight2119.85 g/mol
Exact Mass2118.03
IUPAC Name7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1ccccc1-c1cc(-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(C)cc(-c6cccc7ccccc67)cc5-c5c(C)cccc5C)ccc3-4)cc3ccccc23)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(C)c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccccc5)c4)c4ccccc4c3)ccc1-2
InChIInChI=1S/C162H131N3/c1-96-40-22-26-49-119(96)139-86-112(137-84-109(82-107-47-25-29-52-122(107)137)105-63-71-129-135-77-69-118(95-152(135)162(17,18)146(129)89-105)165(117-67-75-133-127-56-33-37-61-144(127)160(13,14)150(133)93-117)156-101(6)78-110(87-140(156)153-97(2)41-38-42-98(153)3)123-57-39-48-102-45-23-27-50-120(102)123)80-100(5)155(139)164(115-66-74-132-126-55-32-36-60-143(126)159(11,12)149(132)92-115)116-68-76-134-128-70-62-104(88-145(128)161(15,16)151(134)94-116)108-81-106-46-24-28-51-121(106)136(83-108)111-79-99(4)154(138(85-111)103-43-20-19-21-44-103)163(113-64-72-130-124-53-30-34-58-141(124)157(7,8)147(130)90-113)114-65-73-131-125-54-31-35-59-142(125)158(9,10)148(131)91-114/h19-95H,1-18H3
InChIKeyPHYGUKPJXFWIAR-UHFFFAOYSA-N
XLogP44.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms165
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002119.85
LogP ≤ 544.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 155181927) is 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is Cc1ccccc1-c1cc(-c2cc(-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(C)cc(-c6cccc7ccccc67)cc5-c5c(C)cccc5C)ccc3-4)cc3ccccc23)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(C)c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccccc5)c4)c4ccccc4c3)ccc1-2.
What is the InChIKey of 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is PHYGUKPJXFWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H131N3/c1-96-40-22-26-49-119(96)139-86-112(137-84-109(82-107-47-25-29-52-122(107)137)105-63-71-129-135-77-69-118(95-152(135)162(17,18)146(129)89-105)165(117-67-75-133-127-56-33-37-61-144(127)160(13,14)150(133)93-117)156-101(6)78-110(87-140(156)153-97(2)41-38-42-98(153)3)123-57-39-48-102-45-23-27-50-120(102)123)80-100(5)155(139)164(115-66-74-132-126-55-32-36-60-143(126)159(11,12)149(132)92-115)116-68-76-134-128-70-62-104(88-145(128)161(15,16)151(134)94-116)108-81-106-46-24-28-51-121(106)136(83-108)111-79-99(4)154(138(85-111)103-43-20-19-21-44-103)163(113-64-72-130-124-53-30-34-58-141(124)157(7,8)147(130)90-113)114-65-73-131-125-54-31-35-59-142(125)158(9,10)148(131)91-114/h19-95H,1-18H3.
What are the key properties of 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 2119.85 g/mol, XLogP of 44.58, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]-3-methyl-5-phenylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[7-[N-(9,9-dimethylfluoren-2-yl)-2-(2,6-dimethylphenyl)-6-methyl-4-naphthalen-1-ylanilino]-9,9-dimethylfluoren-2-yl]naphthalen-1-yl]-2-methyl-6-(2-methylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155181927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).