N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

C73H57N — CID 170303870

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C73H57N/c1-72(52-29-8-3-9-30-52)64-42-18-14-35-57(64)58-48-47-55(49-67(58)72)74(68-45-20-16-36-59(68)61-40-23-28-51-27-22-39-56(70(51)61)50-25-6-2-7-26-50)69-46-21-17-37-60(69)62-41-24-44-66-71(62)63-38-15-19-43-65(63)73(66,53-31-10-4-11-32-53)54-33-12-5-13-34-54/h3-5,8-24,27-50H,2,6-7,25-26H2,1H3
InChIKeyMPFYDDXMHSZIKJ-UHFFFAOYSA-N
MW948.27 g/mol
LogP19.39
Rot. Bonds9

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (PubChem CID 170303870) has the molecular formula C73H57N and a molecular weight of 948.27 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
PubChem CID170303870
Molecular FormulaC73H57N
Molecular Weight948.27 g/mol
Exact Mass947.45
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21
InChIInChI=1S/C73H57N/c1-72(52-29-8-3-9-30-52)64-42-18-14-35-57(64)58-48-47-55(49-67(58)72)74(68-45-20-16-36-59(68)61-40-23-28-51-27-22-39-56(70(51)61)50-25-6-2-7-26-50)69-46-21-17-37-60(69)62-41-24-44-66-71(62)63-38-15-19-43-65(63)73(66,53-31-10-4-11-32-53)54-33-12-5-13-34-54/h3-5,8-24,27-50H,2,6-7,25-26H2,1H3
InChIKeyMPFYDDXMHSZIKJ-UHFFFAOYSA-N
XLogP19.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.27
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 170303868
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]aniline
CID 170292483
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304685
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170292655
2-(8-cyclohexylnaphthalen-1-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]aniline
CID 170293343
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304684
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 170303755
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-6-methyl-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9-diphenyl-5,6-dihydrofluoren-2-amine
CID 170303812

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine (CID 170303870) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
The InChIKey is MPFYDDXMHSZIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H57N/c1-72(52-29-8-3-9-30-52)64-42-18-14-35-57(64)58-48-47-55(49-67(58)72)74(68-45-20-16-36-59(68)61-40-23-28-51-27-22-39-56(70(51)61)50-25-6-2-7-26-50)69-46-21-17-37-60(69)62-41-24-44-66-71(62)63-38-15-19-43-65(63)73(66,53-31-10-4-11-32-53)54-33-12-5-13-34-54/h3-5,8-24,27-50H,2,6-7,25-26H2,1H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine has a molecular weight of 948.27 g/mol, XLogP of 19.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine is sourced from PubChem (CID 170303870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).