N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine

C76H63N — CID 153308718

IUPACN-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine
SMILESCc1ccccc1-c1ccccc1C(c1ccccc1-c1ccccc1C)c1cccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c1-c1ccccc1C
InChIInChI=1S/C76H63N/c1-49-24-8-11-27-55(49)59-30-14-16-34-64(59)73(65-35-17-15-31-60(65)56-28-12-9-25-50(56)2)67-38-22-36-58(72(67)57-29-13-10-26-51(57)3)52-42-44-53(45-43-52)77(54-46-47-63-61-32-18-20-39-68(61)75(4,5)70(63)48-54)71-41-23-37-66-62-33-19-21-40-69(62)76(6,7)74(66)71/h8-48,73H,1-7H3
InChIKeyZNUIOMZFCKIITJ-UHFFFAOYSA-N
MW990.35 g/mol
LogP20.54
Rot. Bonds10

About N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine

N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine (PubChem CID 153308718) has the molecular formula C76H63N and a molecular weight of 990.35 g/mol. Its IUPAC name is N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine
PubChem CID153308718
Molecular FormulaC76H63N
Molecular Weight990.35 g/mol
Exact Mass989.50
IUPAC NameN-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine
SMILESCc1ccccc1-c1ccccc1C(c1ccccc1-c1ccccc1C)c1cccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c1-c1ccccc1C
InChIInChI=1S/C76H63N/c1-49-24-8-11-27-55(49)59-30-14-16-34-64(59)73(65-35-17-15-31-60(65)56-28-12-9-25-50(56)2)67-38-22-36-58(72(67)57-29-13-10-26-51(57)3)52-42-44-53(45-43-52)77(54-46-47-63-61-32-18-20-39-68(61)75(4,5)70(63)48-54)71-41-23-37-66-62-33-19-21-40-69(62)76(6,7)74(66)71/h8-48,73H,1-7H3
InChIKeyZNUIOMZFCKIITJ-UHFFFAOYSA-N
XLogP20.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.35
LogP ≤ 520.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
9,9-dimethyl-N-[2-methyl-4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-1-amine
CID 145082585
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
N-[2-(9,9-dimethylfluoren-3-yl)-3-phenylphenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293184
9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285414
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine (CID 153308718) is N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine is Cc1ccccc1-c1ccccc1C(c1ccccc1-c1ccccc1C)c1cccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3C(C)(C)c3ccccc3-4)cc2)c1-c1ccccc1C.
What is the InChIKey of N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine?
The InChIKey is ZNUIOMZFCKIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H63N/c1-49-24-8-11-27-55(49)59-30-14-16-34-64(59)73(65-35-17-15-31-60(65)56-28-12-9-25-50(56)2)67-38-22-36-58(72(67)57-29-13-10-26-51(57)3)52-42-44-53(45-43-52)77(54-46-47-63-61-32-18-20-39-68(61)75(4,5)70(63)48-54)71-41-23-37-66-62-33-19-21-40-69(62)76(6,7)74(66)71/h8-48,73H,1-7H3.
What are the key properties of N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine?
N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine has a molecular weight of 990.35 g/mol, XLogP of 20.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[bis[2-(2-methylphenyl)phenyl]methyl]-2-(2-methylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 153308718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).