N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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

C43H35N — CID 166032850

IUPACN-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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
SMILESCc1cc(C)cc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-c5ccccc5)cc3cc2-4)c1
InChIInChI=1S/C43H35N/c1-27(2)30-12-15-37(16-13-30)44(39-19-28(3)18-29(4)20-39)38-17-14-34-24-41-42-25-35-21-32(31-8-6-5-7-9-31)10-11-33(35)23-40(42)43(41)26-36(34)22-38/h5-27H,1-4H3
InChIKeyCQCXFNAAMVVTKA-UHFFFAOYSA-N
MW565.76 g/mol
LogP12.52
Rot. Bonds5

About N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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

N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 (PubChem CID 166032850) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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
PubChem CID166032850
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC NameN-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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
SMILESCc1cc(C)cc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-c5ccccc5)cc3cc2-4)c1
InChIInChI=1S/C43H35N/c1-27(2)30-12-15-37(16-13-30)44(39-19-28(3)18-29(4)20-39)38-17-14-34-24-41-42-25-35-21-32(31-8-6-5-7-9-31)10-11-33(35)23-40(42)43(41)26-36(34)22-38/h5-27H,1-4H3
InChIKeyCQCXFNAAMVVTKA-UHFFFAOYSA-N
XLogP12.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-N,16-diphenylpentacyclo[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 166031874
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)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 166032756
N,16,17-triphenyl-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166032096
N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 90936439
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]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 166031712
N-(3,4-dimethylphenyl)-16-phenyl-N-(4-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 166032300
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
CID 22900262
9-N,23-N,14,14,18,18-hexakis-phenyl-9-N,23-N-bis(4-phenylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N,14,14,18,18-hexakis-phenyl-9-N,23-N-bis(3,4,5-trimethylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;14,14,18,18-tetraphenyl-9-N,9-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)heptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 160813552
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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?
The IUPAC name of N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 166032850) is N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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.
What is the SMILES notation for N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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?
The canonical SMILES for N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 is Cc1cc(C)cc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-c5ccccc5)cc3cc2-4)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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?
The InChIKey is CQCXFNAAMVVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N/c1-27(2)30-12-15-37(16-13-30)44(39-19-28(3)18-29(4)20-39)38-17-14-34-24-41-42-25-35-21-32(31-8-6-5-7-9-31)10-11-33(35)23-40(42)43(41)26-36(34)22-38/h5-27H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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?
N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 has a molecular weight of 565.76 g/mol, XLogP of 12.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)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 is sourced from PubChem (CID 166032850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).