24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine

C31H24N2 — CID 164528467

IUPAC24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine
SMILESCC1(C)c2cc(N)ccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1ccccc21
InChIInChI=1S/C31H24N2/c1-31(2)25-18-19(32)16-17-23(25)27-21-12-6-7-13-22(21)30-28(29(27)31)24-14-8-9-15-26(24)33(30)20-10-4-3-5-11-20/h3-18H,32H2,1-2H3
InChIKeyFOPSPDNEDIWOCH-UHFFFAOYSA-N
MW424.55 g/mol
LogP7.83
Rot. Bonds1

About 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine

24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine (PubChem CID 164528467) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine.

Molecular Properties

Compound Name24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine
PubChem CID164528467
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine
SMILESCC1(C)c2cc(N)ccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1ccccc21
InChIInChI=1S/C31H24N2/c1-31(2)25-18-19(32)16-17-23(25)27-21-12-6-7-13-22(21)30-28(29(27)31)24-14-8-9-15-26(24)33(30)20-10-4-3-5-11-20/h3-18H,32H2,1-2H3
InChIKeyFOPSPDNEDIWOCH-UHFFFAOYSA-N
XLogP7.83
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine with MolForge

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Related Compounds

9-(3-fluoranthen-3-ylphenyl)-24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118580989
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
9-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-21-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635692
18-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-21-phenyl-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635805
9,9,21,21-tetramethyl-18-(4-phenylphenyl)-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635504
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
15,26,26-trimethyl-4-phenyl-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 145449729
6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole
CID 118502436
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole
CID 158192056
18-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635510
18-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635513

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine?
The IUPAC name of 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine (CID 164528467) is 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine.
What is the SMILES notation for 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine?
The canonical SMILES for 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine is CC1(C)c2cc(N)ccc2-c2c1c1c3ccccc3n(-c3ccccc3)c1c1ccccc21.
What is the InChIKey of 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine?
The InChIKey is FOPSPDNEDIWOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-31(2)25-18-19(32)16-17-23(25)27-21-12-6-7-13-22(21)30-28(29(27)31)24-14-8-9-15-26(24)33(30)20-10-4-3-5-11-20/h3-18H,32H2,1-2H3.
What are the key properties of 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine?
24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine has a molecular weight of 424.55 g/mol, XLogP of 7.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-9-phenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-21-amine is sourced from PubChem (CID 164528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).