methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine

C45H48N2 — CID 143983500

IUPACmethanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine
SMILESCN.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cccc4c2/C=C\C=C/C(C3C)C4(C)C)cc1
InChIInChI=1S/C44H43N.CH5N/c1-30-19-23-34(24-20-30)45(35-25-21-33(22-26-35)32-13-8-7-9-14-32)36-27-28-37-31(2)39-16-11-10-15-38-40(43(39,3)4)17-12-18-41(38)44(5,6)42(37)29-36;1-2/h7-29,31,39H,1-6H3;2H2,1H3/b15-10-,16-11-;
InChIKeyWMYIAZJZZFHDET-MPUNLBFESA-N
MW616.89 g/mol
LogP11.63
Rot. Bonds4

About methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine

methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine (PubChem CID 143983500) has the molecular formula C45H48N2 and a molecular weight of 616.89 g/mol. Its IUPAC name is methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine.

Molecular Properties

Compound Namemethanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine
PubChem CID143983500
Molecular FormulaC45H48N2
Molecular Weight616.89 g/mol
Exact Mass616.38
IUPAC Namemethanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine
SMILESCN.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cccc4c2/C=C\C=C/C(C3C)C4(C)C)cc1
InChIInChI=1S/C44H43N.CH5N/c1-30-19-23-34(24-20-30)45(35-25-21-33(22-26-35)32-13-8-7-9-14-32)36-27-28-37-31(2)39-16-11-10-15-38-40(43(39,3)4)17-12-18-41(38)44(5,6)42(37)29-36;1-2/h7-29,31,39H,1-6H3;2H2,1H3/b15-10-,16-11-;
InChIKeyWMYIAZJZZFHDET-MPUNLBFESA-N
XLogP11.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.89
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892954
5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142604920
N-(9,9-dimethylfluoren-2-yl)-9a-methyl-N-[4-(4-methylphenyl)phenyl]spiro[4b,8a-dihydro-4aH-fluorene-9,9'-fluorene]-2'-amine
CID 166906706
N-[4-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-3,5,9,11,13(24),14,16,18,20-nonaen-22-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134510237
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068180

Frequently Asked Questions

What is the IUPAC name of methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine?
The IUPAC name of methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine (CID 143983500) is methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine.
What is the SMILES notation for methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine?
The canonical SMILES for methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine is CN.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cccc4c2/C=C\C=C/C(C3C)C4(C)C)cc1.
What is the InChIKey of methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine?
The InChIKey is WMYIAZJZZFHDET-MPUNLBFESA-N. The full InChI is InChI=1S/C44H43N.CH5N/c1-30-19-23-34(24-20-30)45(35-25-21-33(22-26-35)32-13-8-7-9-14-32)36-27-28-37-31(2)39-16-11-10-15-38-40(43(39,3)4)17-12-18-41(38)44(5,6)42(37)29-36;1-2/h7-29,31,39H,1-6H3;2H2,1H3/b15-10-,16-11-;.
What are the key properties of methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine?
methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine has a molecular weight of 616.89 g/mol, XLogP of 11.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(16Z,18Z)-2,9,9,20,20-pentamethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)tetracyclo[12.5.1.03,8.010,15]icosa-3(8),4,6,10(15),11,13,16,18-octaen-6-amine is sourced from PubChem (CID 143983500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).