5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine

C69H72N2 — CID 146356779

IUPAC5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine
SMILESCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1N(c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)ccc4C)cc(C(C)C)c(ccc1c2)c3C
InChIInChI=1S/C69H72N2/c1-45(2)62-43-66(70(58-20-16-14-17-21-58)64-41-52(26-24-47(64)5)50-28-34-56(35-29-50)68(8,9)10)55-33-38-60-49(7)61(39-32-54(62)40-55)67(44-63(60)46(3)4)71(59-22-18-15-19-23-59)65-42-53(27-25-48(65)6)51-30-36-57(37-31-51)69(11,12)13/h14-46H,1-13H3/b38-33-,39-32-
InChIKeyPBYSCNTXQUSMBZ-IQKQJQPGSA-N
MW929.35 g/mol
LogP20.60
Rot. Bonds10

About 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine

5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine (PubChem CID 146356779) has the molecular formula C69H72N2 and a molecular weight of 929.35 g/mol. Its IUPAC name is 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine.

Molecular Properties

Compound Name5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine
PubChem CID146356779
Molecular FormulaC69H72N2
Molecular Weight929.35 g/mol
Exact Mass928.57
IUPAC Name5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine
SMILESCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1N(c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)ccc4C)cc(C(C)C)c(ccc1c2)c3C
InChIInChI=1S/C69H72N2/c1-45(2)62-43-66(70(58-20-16-14-17-21-58)64-41-52(26-24-47(64)5)50-28-34-56(35-29-50)68(8,9)10)55-33-38-60-49(7)61(39-32-54(62)40-55)67(44-63(60)46(3)4)71(59-22-18-15-19-23-59)65-42-53(27-25-48(65)6)51-30-36-57(37-31-51)69(11,12)13/h14-46H,1-13H3/b38-33-,39-32-
InChIKeyPBYSCNTXQUSMBZ-IQKQJQPGSA-N
XLogP20.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.35
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine with MolForge

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Related Compounds

1-N,6-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062772
1-N,6-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062653
1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 140793532
7-tert-butyl-1-N,3-N-bis(2-methyl-5-phenylphenyl)-1-N,3-N-bis(3-propan-2-ylphenyl)pyrene-1,3-diamine
CID 129062828
6-N-(2-methyl-5-phenylphenyl)-1-N-[2-methyl-5-(2-propan-2-ylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 145044743
1-N,6-N-bis(2-tert-butyl-5-phenylphenyl)-1-N,6-N-bis(2-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062741
1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062677
7-tert-butyl-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-bis(5-phenyl-2-propan-2-ylphenyl)pyrene-1,3-diamine
CID 129062905
7-tert-butyl-1-N,3-N-bis(2-methyl-5-phenylphenyl)-1-N,3-N-bis(3-trimethylsilylphenyl)pyrene-1,3-diamine
CID 140793577
4-(N-[7-tert-butyl-3-(4-cyano-N-(2-methyl-5-phenylphenyl)anilino)pyren-1-yl]-2-methyl-5-phenylanilino)benzonitrile
CID 129074156
1-N,6-N-bis(2-methyl-5-phenylphenyl)-1-N,6-N-bis(2-methyl-5-trimethylsilylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 140793544
17-(4-tert-butylphenyl)-N-(2-methylphenyl)-N-(2-methyl-5-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032918

Frequently Asked Questions

What is the IUPAC name of 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine?
The IUPAC name of 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine (CID 146356779) is 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine.
What is the SMILES notation for 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine?
The canonical SMILES for 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine is Cc1ccc(-c2ccc(C(C)(C)C)cc2)cc1N(c1ccccc1)c1cc(C(C)C)c2ccc3c(N(c4ccccc4)c4cc(-c5ccc(C(C)(C)C)cc5)ccc4C)cc(C(C)C)c(ccc1c2)c3C.
What is the InChIKey of 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine?
The InChIKey is PBYSCNTXQUSMBZ-IQKQJQPGSA-N. The full InChI is InChI=1S/C69H72N2/c1-45(2)62-43-66(70(58-20-16-14-17-21-58)64-41-52(26-24-47(64)5)50-28-34-56(35-29-50)68(8,9)10)55-33-38-60-49(7)61(39-32-54(62)40-55)67(44-63(60)46(3)4)71(59-22-18-15-19-23-59)65-42-53(27-25-48(65)6)51-30-36-57(37-31-51)69(11,12)13/h14-46H,1-13H3/b38-33-,39-32-.
What are the key properties of 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine?
5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine has a molecular weight of 929.35 g/mol, XLogP of 20.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,12-N-bis[5-(4-tert-butylphenyl)-2-methylphenyl]-15-methyl-5-N,12-N-diphenyl-7,14-di(propan-2-yl)tricyclo[9.3.1.14,8]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-5,12-diamine is sourced from PubChem (CID 146356779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).