2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine

C70H60N2 — CID 143986213

IUPAC2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
SMILESCc1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C70H60N2/c1-47-25-33-55(34-26-47)71(57-37-29-51(30-38-57)49-13-3-4-14-49)59-41-43-65-67(45-59)69(63-23-11-19-53-17-7-9-21-61(53)63)66-44-42-60(46-68(66)70(65)64-24-12-20-54-18-8-10-22-62(54)64)72(56-35-27-48(2)28-36-56)58-39-31-52(32-40-58)50-15-5-6-16-50/h7-12,17-46,49-50H,3-6,13-16H2,1-2H3
InChIKeyOUVYPERMRRHYKQ-UHFFFAOYSA-N
MW929.26 g/mol
LogP20.51
Rot. Bonds10

About 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine

2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine (PubChem CID 143986213) has the molecular formula C70H60N2 and a molecular weight of 929.26 g/mol. Its IUPAC name is 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
PubChem CID143986213
Molecular FormulaC70H60N2
Molecular Weight929.26 g/mol
Exact Mass928.48
IUPAC Name2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
SMILESCc1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C70H60N2/c1-47-25-33-55(34-26-47)71(57-37-29-51(30-38-57)49-13-3-4-14-49)59-41-43-65-67(45-59)69(63-23-11-19-53-17-7-9-21-61(53)63)66-44-42-60(46-68(66)70(65)64-24-12-20-54-18-8-10-22-62(54)64)72(56-35-27-48(2)28-36-56)58-39-31-52(32-40-58)50-15-5-6-16-50/h7-12,17-46,49-50H,3-6,13-16H2,1-2H3
InChIKeyOUVYPERMRRHYKQ-UHFFFAOYSA-N
XLogP20.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.26
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis(4-cyclohexylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-diphenylanthracene-2,6-diamine;2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-diphenylanthracene-2,6-diamine;2-N,6-N-bis(4-cyclopropylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-diphenylanthracene-2,6-diamine
CID 159030240
N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771655
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89062291
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
2-N,6-N-bis(4-cyclopentylphenyl)-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine;1-N,6-N-bis(4-methylphenyl)-3,8-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dinaphthalen-2-yl-1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine;bis(1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-3,8-dinaphthalen-2-ylpyrene-1,6-diamine)
CID 157096228
5-N,5-N,20-N,20-N-tetrakis(4-cyclohexylphenyl)-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430893
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168739419
3-N,9-N-bis(4-cyclohexylphenyl)-10-methyl-3-N,9-N-diphenylphenanthrene-3,9-diamine
CID 121277488

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine (CID 143986213) is 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine is Cc1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine?
The InChIKey is OUVYPERMRRHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H60N2/c1-47-25-33-55(34-26-47)71(57-37-29-51(30-38-57)49-13-3-4-14-49)59-41-43-65-67(45-59)69(63-23-11-19-53-17-7-9-21-61(53)63)66-44-42-60(46-68(66)70(65)64-24-12-20-54-18-8-10-22-62(54)64)72(56-35-27-48(2)28-36-56)58-39-31-52(32-40-58)50-15-5-6-16-50/h7-12,17-46,49-50H,3-6,13-16H2,1-2H3.
What are the key properties of 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine?
2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine has a molecular weight of 929.26 g/mol, XLogP of 20.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine is sourced from PubChem (CID 143986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).