10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine

C62H44N2 — CID 23443846

IUPAC10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3cccc4c3c2c2cccc3c2c4c2cccc4c5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc6cccc(c65)c3c42)cc1
InChIInChI=1S/C62H44N2/c1-37-17-27-43(28-18-37)63(44-29-19-38(2)20-30-44)53-35-25-41-9-5-11-47-55(41)61(53)51-15-7-13-49-58-48-12-6-10-42-26-36-54(62(56(42)48)52-16-8-14-50(60(52)58)57(47)59(49)51)64(45-31-21-39(3)22-32-45)46-33-23-40(4)24-34-46/h5-36H,1-4H3
InChIKeyLNMGUKNWOWGMHG-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.96
Rot. Bonds6

About 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine

10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine (PubChem CID 23443846) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine.

Molecular Properties

Compound Name10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine
PubChem CID23443846
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3cccc4c3c2c2cccc3c2c4c2cccc4c5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc6cccc(c65)c3c42)cc1
InChIInChI=1S/C62H44N2/c1-37-17-27-43(28-18-37)63(44-29-19-38(2)20-30-44)53-35-25-41-9-5-11-47-55(41)61(53)51-15-7-13-49-58-48-12-6-10-42-26-36-54(62(56(42)48)52-16-8-14-50(60(52)58)57(47)59(49)51)64(45-31-21-39(3)22-32-45)46-33-23-40(4)24-34-46/h5-36H,1-4H3
InChIKeyLNMGUKNWOWGMHG-UHFFFAOYSA-N
XLogP17.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine with MolForge

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Related Compounds

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N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
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1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
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N-(4-methylphenyl)-N-(4-nitrophenyl)pyren-1-amine
CID 150518611
1-N-[4-[4-(4-methylanilino)-N-phenanthren-4-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
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N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
N-(4-methylphenyl)-N-[4-(2-naphthalen-1-ylethenyl)phenyl]pyren-1-amine
CID 58817047
8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8,20-diamine
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N,N-bis(4-ethylphenyl)pyren-1-amine
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Frequently Asked Questions

What is the IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine?
The IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine (CID 23443846) is 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine.
What is the SMILES notation for 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine?
The canonical SMILES for 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3cccc4c3c2c2cccc3c2c4c2cccc4c5c(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc6cccc(c65)c3c42)cc1.
What is the InChIKey of 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine?
The InChIKey is LNMGUKNWOWGMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-37-17-27-43(28-18-37)63(44-29-19-38(2)20-30-44)53-35-25-41-9-5-11-47-55(41)61(53)51-15-7-13-49-58-48-12-6-10-42-26-36-54(62(56(42)48)52-16-8-14-50(60(52)58)57(47)59(49)51)64(45-31-21-39(3)22-32-45)46-33-23-40(4)24-34-46/h5-36H,1-4H3.
What are the key properties of 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine?
10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine has a molecular weight of 817.05 g/mol, XLogP of 17.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,10-N,25-N,25-N-tetrakis(4-methylphenyl)nonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3,5,7(34),8,10,12,14,16(33),17(31),18,20,22(32),23,25,27,29-heptadecaene-10,25-diamine is sourced from PubChem (CID 23443846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).