15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine

C58H41N3 — CID 172504367

IUPAC15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine
SMILESCC1(C)c2cc3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc4c3cc2-c2cc3c(cc21)nc(-c1ccccc1)n3-c1ccccc1
InChIInChI=1S/C58H41N3/c1-58(2)53-34-44-23-22-43-33-48(60(47-29-26-39-16-12-13-19-42(39)32-47)46-27-24-40(25-28-46)38-14-6-3-7-15-38)30-31-49(43)50(44)35-51(53)52-36-56-55(37-54(52)58)59-57(41-17-8-4-9-18-41)61(56)45-20-10-5-11-21-45/h3-37H,1-2H3
InChIKeyOIIBPAYPFMIYJU-UHFFFAOYSA-N
MW779.99 g/mol
LogP15.60
Rot. Bonds6

About 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine

15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine (PubChem CID 172504367) has the molecular formula C58H41N3 and a molecular weight of 779.99 g/mol. Its IUPAC name is 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine.

Molecular Properties

Compound Name15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine
PubChem CID172504367
Molecular FormulaC58H41N3
Molecular Weight779.99 g/mol
Exact Mass779.33
IUPAC Name15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine
SMILESCC1(C)c2cc3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc4c3cc2-c2cc3c(cc21)nc(-c1ccccc1)n3-c1ccccc1
InChIInChI=1S/C58H41N3/c1-58(2)53-34-44-23-22-43-33-48(60(47-29-26-39-16-12-13-19-42(39)32-47)46-27-24-40(25-28-46)38-14-6-3-7-15-38)30-31-49(43)50(44)35-51(53)52-36-56-55(37-54(52)58)59-57(41-17-8-4-9-18-41)61(56)45-20-10-5-11-21-45/h3-37H,1-2H3
InChIKeyOIIBPAYPFMIYJU-UHFFFAOYSA-N
XLogP15.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.99
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine with MolForge

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Related Compounds

3-N-[4-(15,15-dimethyl-21-phenyl-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4,6,8,10,12,16,18(22),19,23-undecaen-20-yl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 172504182
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
CID 171736333
15,15-dimethyl-N-naphthalen-2-yl-20-phenyl-N-(4-phenylphenyl)-21-oxa-19-azahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-6-amine
CID 172504380
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385663
6-N,18-N-bis(11,11-dimethylbenzo[b]fluoren-2-yl)-6-N,18-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163979746
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine?
The IUPAC name of 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine (CID 172504367) is 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine.
What is the SMILES notation for 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine?
The canonical SMILES for 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine is CC1(C)c2cc3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)ccc4c3cc2-c2cc3c(cc21)nc(-c1ccccc1)n3-c1ccccc1.
What is the InChIKey of 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine?
The InChIKey is OIIBPAYPFMIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3/c1-58(2)53-34-44-23-22-43-33-48(60(47-29-26-39-16-12-13-19-42(39)32-47)46-27-24-40(25-28-46)38-14-6-3-7-15-38)30-31-49(43)50(44)35-51(53)52-36-56-55(37-54(52)58)59-57(41-17-8-4-9-18-41)61(56)45-20-10-5-11-21-45/h3-37H,1-2H3.
What are the key properties of 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine?
15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine has a molecular weight of 779.99 g/mol, XLogP of 15.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-N-naphthalen-2-yl-20,21-diphenyl-N-(4-phenylphenyl)-19,21-diazahexacyclo[12.10.0.03,12.04,9.016,24.018,22]tetracosa-1(14),2,4(9),5,7,10,12,16,18(22),19,23-undecaen-7-amine is sourced from PubChem (CID 172504367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).