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

C184H164N6 — CID 159030240

IUPAC2-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
SMILESCc1ccc(N(c2ccc(C3CC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C64H60N2.C62H56N2.C58H48N2/c1-45-23-31-53(32-24-45)65(55-35-27-49(28-36-55)47-15-7-3-8-16-47)57-39-41-59-61(43-57)63(51-19-11-5-12-20-51)60-42-40-58(44-62(60)64(59)52-21-13-6-14-22-52)66(54-33-25-46(2)26-34-54)56-37-29-50(30-38-56)48-17-9-4-10-18-48;1-43-21-29-51(30-22-43)63(53-33-25-47(26-34-53)45-13-9-10-14-45)55-37-39-57-59(41-55)61(49-17-5-3-6-18-49)58-40-38-56(42-60(58)62(57)50-19-7-4-8-20-50)64(52-31-23-44(2)24-32-52)54-35-27-48(28-36-54)46-15-11-12-16-46;1-39-13-25-47(26-14-39)59(49-29-21-43(22-30-49)41-17-18-41)51-33-35-53-55(37-51)57(45-9-5-3-6-10-45)54-36-34-52(38-56(54)58(53)46-11-7-4-8-12-46)60(48-27-15-40(2)16-28-48)50-31-23-44(24-32-50)42-19-20-42/h5-6,11-14,19-44,47-48H,3-4,7-10,15-18H2,1-2H3;3-8,17-42,45-46H,9-16H2,1-2H3;3-16,21-38,41-42H,17-20H2,1-2H3
InChIKeyJUUHPHYSBFDZFQ-UHFFFAOYSA-N
MW2459.38 g/mol
LogP53.82
Rot. Bonds30

About 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

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 (PubChem CID 159030240) has the molecular formula C184H164N6 and a molecular weight of 2459.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159030240
Molecular FormulaC184H164N6
Molecular Weight2459.38 g/mol
Exact Mass2457.30
IUPAC Name2-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
SMILESCc1ccc(N(c2ccc(C3CC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C64H60N2.C62H56N2.C58H48N2/c1-45-23-31-53(32-24-45)65(55-35-27-49(28-36-55)47-15-7-3-8-16-47)57-39-41-59-61(43-57)63(51-19-11-5-12-20-51)60-42-40-58(44-62(60)64(59)52-21-13-6-14-22-52)66(54-33-25-46(2)26-34-54)56-37-29-50(30-38-56)48-17-9-4-10-18-48;1-43-21-29-51(30-22-43)63(53-33-25-47(26-34-53)45-13-9-10-14-45)55-37-39-57-59(41-55)61(49-17-5-3-6-18-49)58-40-38-56(42-60(58)62(57)50-19-7-4-8-20-50)64(52-31-23-44(2)24-32-52)54-35-27-48(28-36-54)46-15-11-12-16-46;1-39-13-25-47(26-14-39)59(49-29-21-43(22-30-49)41-17-18-41)51-33-35-53-55(37-51)57(45-9-5-3-6-10-45)54-36-34-52(38-56(54)58(53)46-11-7-4-8-12-46)60(48-27-15-40(2)16-28-48)50-31-23-44(24-32-50)42-19-20-42/h5-6,11-14,19-44,47-48H,3-4,7-10,15-18H2,1-2H3;3-8,17-42,45-46H,9-16H2,1-2H3;3-16,21-38,41-42H,17-20H2,1-2H3
InChIKeyJUUHPHYSBFDZFQ-UHFFFAOYSA-N
XLogP53.82
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002459.38
LogP ≤ 553.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
CID 143986213
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
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
9-N,10-N-bis(4-cyclohexylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;9-N,10-N-bis(3,5-diphenylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine
CID 157181107
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N,3,18-tetraphenyl-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-8,23-diamine;8-N,23-N-bis(4-cyclohexylphenyl)-8-N,23-N,3,18-tetraphenyl-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-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-methylphenyl)-3,18-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-8,23-diamine
CID 161445493
3-N,9-N-bis(4-cyclohexylphenyl)-10-methyl-3-N,9-N-diphenylphenanthrene-3,9-diamine
CID 121277488
2-N,6-N-bis([1]benzofuro[2,3-c]pyridin-7-yl)-2-N,6-N-bis[3,5-bis(4-cyclohexylphenyl)phenyl]-9,10-diphenylanthracene-2,6-diamine
CID 156577527
N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C3CC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccc(C3CCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5ccc(C6CCCCC6)cc5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is JUUHPHYSBFDZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N2.C62H56N2.C58H48N2/c1-45-23-31-53(32-24-45)65(55-35-27-49(28-36-55)47-15-7-3-8-16-47)57-39-41-59-61(43-57)63(51-19-11-5-12-20-51)60-42-40-58(44-62(60)64(59)52-21-13-6-14-22-52)66(54-33-25-46(2)26-34-54)56-37-29-50(30-38-56)48-17-9-4-10-18-48;1-43-21-29-51(30-22-43)63(53-33-25-47(26-34-53)45-13-9-10-14-45)55-37-39-57-59(41-55)61(49-17-5-3-6-18-49)58-40-38-56(42-60(58)62(57)50-19-7-4-8-20-50)64(52-31-23-44(2)24-32-52)54-35-27-48(28-36-54)46-15-11-12-16-46;1-39-13-25-47(26-14-39)59(49-29-21-43(22-30-49)41-17-18-41)51-33-35-53-55(37-51)57(45-9-5-3-6-10-45)54-36-34-52(38-56(54)58(53)46-11-7-4-8-12-46)60(48-27-15-40(2)16-28-48)50-31-23-44(24-32-50)42-19-20-42/h5-6,11-14,19-44,47-48H,3-4,7-10,15-18H2,1-2H3;3-8,17-42,45-46H,9-16H2,1-2H3;3-16,21-38,41-42H,17-20H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2459.38 g/mol, XLogP of 53.82, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159030240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).