2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine

C54H62N2 — CID 59856409

IUPAC2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine
SMILESCc1cc(N(c2ccc(C(C)C)cc2)c2ccc(C3CCCCC3)cc2)cc2c(C)cc(N(c3ccc(C(C)C)cc3)c3ccc(C4CCCCC4)cc3)cc12
InChIInChI=1S/C54H62N2/c1-37(2)41-17-25-47(26-18-41)55(49-29-21-45(22-30-49)43-13-9-7-10-14-43)51-33-39(5)54-36-52(34-40(6)53(54)35-51)56(48-27-19-42(20-28-48)38(3)4)50-31-23-46(24-32-50)44-15-11-8-12-16-44/h17-38,43-44H,7-16H2,1-6H3
InChIKeyUKMFJKVDQADAMM-UHFFFAOYSA-N
MW739.10 g/mol
LogP16.74
Rot. Bonds10

About 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine

2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine (PubChem CID 59856409) has the molecular formula C54H62N2 and a molecular weight of 739.10 g/mol. Its IUPAC name is 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine
PubChem CID59856409
Molecular FormulaC54H62N2
Molecular Weight739.10 g/mol
Exact Mass738.49
IUPAC Name2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine
SMILESCc1cc(N(c2ccc(C(C)C)cc2)c2ccc(C3CCCCC3)cc2)cc2c(C)cc(N(c3ccc(C(C)C)cc3)c3ccc(C4CCCCC4)cc3)cc12
InChIInChI=1S/C54H62N2/c1-37(2)41-17-25-47(26-18-41)55(49-29-21-45(22-30-49)43-13-9-7-10-14-43)51-33-39(5)54-36-52(34-40(6)53(54)35-51)56(48-27-19-42(20-28-48)38(3)4)50-31-23-46(24-32-50)44-15-11-8-12-16-44/h17-38,43-44H,7-16H2,1-6H3
InChIKeyUKMFJKVDQADAMM-UHFFFAOYSA-N
XLogP16.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.10
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
CID 160713603
CID 160713603
N-(4-cyclohexylphenyl)-N-(4-propan-2-ylphenyl)benzo[c]phenanthren-5-amine
CID 167182127
1-N,6-N-bis(4-cyclobutylphenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)-3,8-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58322740
6-N,12-N-bis(4-cyclohexylphenyl)-2,8-dimethyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2,8-di(propan-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159540355
6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;18-N-(2-methylphenyl)-6-N,18-N-bis(4-methylphenyl)-6-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(2-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis(3-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 160925609
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-4-yl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,4-dimethylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(3,5-dimethylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-di(dibenzofuran-4-yl)-9-N,15-N-bis(4-propan-2-ylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 161130692
9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,9-N,24-N,24-N-tetrakis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 157398178
N-(4-cyclohexylphenyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 168771724
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
N-[4-[6-[4-(4-cyclohexyl-N-(2,4-dimethylphenyl)anilino)phenyl]-9,10-di(propan-2-yl)anthracen-2-yl]phenyl]-N-(4-cyclohexylphenyl)-2,4-dimethylaniline
CID 58690841

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine (CID 59856409) is 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine is Cc1cc(N(c2ccc(C(C)C)cc2)c2ccc(C3CCCCC3)cc2)cc2c(C)cc(N(c3ccc(C(C)C)cc3)c3ccc(C4CCCCC4)cc3)cc12.
What is the InChIKey of 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine?
The InChIKey is UKMFJKVDQADAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62N2/c1-37(2)41-17-25-47(26-18-41)55(49-29-21-45(22-30-49)43-13-9-7-10-14-43)51-33-39(5)54-36-52(34-40(6)53(54)35-51)56(48-27-19-42(20-28-48)38(3)4)50-31-23-46(24-32-50)44-15-11-8-12-16-44/h17-38,43-44H,7-16H2,1-6H3.
What are the key properties of 2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine?
2-N,6-N-bis(4-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine has a molecular weight of 739.10 g/mol, XLogP of 16.74, 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-cyclohexylphenyl)-4,8-dimethyl-2-N,6-N-bis(4-propan-2-ylphenyl)naphthalene-2,6-diamine is sourced from PubChem (CID 59856409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).