N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine

C76H60N2 — CID 121323170

IUPACN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4ccccc4c3)c(C)c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C76H60N2/c1-49-43-55(35-41-71(49)77(59-37-39-65-63-25-11-15-27-67(63)75(3,4)69(65)47-59)73-29-17-13-23-61(73)57-33-31-51-19-7-9-21-53(51)45-57)56-36-42-72(50(2)44-56)78(60-38-40-66-64-26-12-16-28-68(64)76(5,6)70(66)48-60)74-30-18-14-24-62(74)58-34-32-52-20-8-10-22-54(52)46-58/h7-48H,1-6H3
InChIKeyMRSQLGJWILEJOW-UHFFFAOYSA-N
MW1001.33 g/mol
LogP21.16
Rot. Bonds9

About N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine

N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 121323170) has the molecular formula C76H60N2 and a molecular weight of 1001.33 g/mol. Its IUPAC name is N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
PubChem CID121323170
Molecular FormulaC76H60N2
Molecular Weight1001.33 g/mol
Exact Mass1000.48
IUPAC NameN-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4ccccc4c3)c(C)c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C76H60N2/c1-49-43-55(35-41-71(49)77(59-37-39-65-63-25-11-15-27-67(63)75(3,4)69(65)47-59)73-29-17-13-23-61(73)57-33-31-51-19-7-9-21-53(51)45-57)56-36-42-72(50(2)44-56)78(60-38-40-66-64-26-12-16-28-68(64)76(5,6)70(66)48-60)74-30-18-14-24-62(74)58-34-32-52-20-8-10-22-54(52)46-58/h7-48H,1-6H3
InChIKeyMRSQLGJWILEJOW-UHFFFAOYSA-N
XLogP21.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.33
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181614
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 155181682
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
N-[4-[4-[4-(9,9-dimethylfluoren-2-yl)-N-(2-methyl-6-naphthalen-2-ylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methyl-6-naphthalen-2-ylaniline
CID 121323184
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 137414909
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-4-amine
CID 170140136

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine (CID 121323170) is N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine is Cc1cc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3ccc4ccccc4c3)c(C)c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?
The InChIKey is MRSQLGJWILEJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N2/c1-49-43-55(35-41-71(49)77(59-37-39-65-63-25-11-15-27-67(63)75(3,4)69(65)47-59)73-29-17-13-23-61(73)57-33-31-51-19-7-9-21-53(51)45-57)56-36-42-72(50(2)44-56)78(60-38-40-66-64-26-12-16-28-68(64)76(5,6)70(66)48-60)74-30-18-14-24-62(74)58-34-32-52-20-8-10-22-54(52)46-58/h7-48H,1-6H3.
What are the key properties of N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 1001.33 g/mol, XLogP of 21.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 121323170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).