[4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine

C35H25N3 — CID 90231185

IUPAC[4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine
SMILESNCc1ccc(-n2c3ccc4c(ccn4-c4ccccc4)c3c3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C35H25N3/c36-22-23-14-16-25(17-15-23)38-32-19-18-31-30(20-21-37(31)24-8-2-1-3-9-24)33(32)34-28-12-6-4-10-26(28)27-11-5-7-13-29(27)35(34)38/h1-21H,22,36H2
InChIKeySLNAUFYHNQAYPA-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.49
Rot. Bonds3

About [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine

[4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine (PubChem CID 90231185) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine
PubChem CID90231185
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name[4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine
SMILESNCc1ccc(-n2c3ccc4c(ccn4-c4ccccc4)c3c3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C35H25N3/c36-22-23-14-16-25(17-15-23)38-32-19-18-31-30(20-21-37(31)24-8-2-1-3-9-24)33(32)34-28-12-6-4-10-26(28)27-11-5-7-13-29(27)35(34)38/h1-21H,22,36H2
InChIKeySLNAUFYHNQAYPA-UHFFFAOYSA-N
XLogP8.49
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine with MolForge

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Related Compounds

20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952
(1-phenylindol-5-yl)methanamine
CID 171652016
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18-diphenyl-9,18,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
CID 90267290
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
25-(9-phenyl-9H-fluoren-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 126720209
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-trimethylsilane
CID 153432798

Frequently Asked Questions

What is the IUPAC name of [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine?
The IUPAC name of [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine (CID 90231185) is [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine.
What is the SMILES notation for [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine?
The canonical SMILES for [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine is NCc1ccc(-n2c3ccc4c(ccn4-c4ccccc4)c3c3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine?
The InChIKey is SLNAUFYHNQAYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c36-22-23-14-16-25(17-15-23)38-32-19-18-31-30(20-21-37(31)24-8-2-1-3-9-24)33(32)34-28-12-6-4-10-26(28)27-11-5-7-13-29(27)35(34)38/h1-21H,22,36H2.
What are the key properties of [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine?
[4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine has a molecular weight of 487.61 g/mol, XLogP of 8.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(19-phenyl-19,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,20]tetracosa-1(14),2,4,6,8,10,12,15(23),16(20),17,21-undecaen-24-yl)phenyl]methanamine is sourced from PubChem (CID 90231185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).