9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene

C37H30N2 — CID 146189043

IUPAC9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
SMILESCC1C=C(c2ccccc2)N(N2C=Cc3c4c(cc5cccc2c35)C(C)(C)c2ccccc2-4)c2ccccc21
InChIInChI=1S/C37H30N2/c1-24-22-34(25-12-5-4-6-13-25)39(32-18-10-8-15-27(24)32)38-21-20-29-35-26(14-11-19-33(35)38)23-31-36(29)28-16-7-9-17-30(28)37(31,2)3/h4-24H,1-3H3
InChIKeyHKUONKGGLBJDEL-UHFFFAOYSA-N
MW502.66 g/mol
LogP9.52
Rot. Bonds2

About 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene

9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene (PubChem CID 146189043) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene.

Molecular Properties

Compound Name9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
PubChem CID146189043
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
SMILESCC1C=C(c2ccccc2)N(N2C=Cc3c4c(cc5cccc2c35)C(C)(C)c2ccccc2-4)c2ccccc21
InChIInChI=1S/C37H30N2/c1-24-22-34(25-12-5-4-6-13-25)39(32-18-10-8-15-27(24)32)38-21-20-29-35-26(14-11-19-33(35)38)23-31-36(29)28-16-7-9-17-30(28)37(31,2)3/h4-24H,1-3H3
InChIKeyHKUONKGGLBJDEL-UHFFFAOYSA-N
XLogP9.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene with MolForge

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Related Compounds

17-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethyl-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene
CID 130444626
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429749
2-(9,9-dimethylfluoren-4-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150402
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-3-azaheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-1(28),2(14),4,6,8,10,12,15,17,19,22,24,26-tridecaene
CID 134510185
2,20-bis(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene
CID 142543682
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
2-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774
8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510254
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510071
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165151106

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?
The IUPAC name of 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene (CID 146189043) is 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene.
What is the SMILES notation for 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?
The canonical SMILES for 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene is CC1C=C(c2ccccc2)N(N2C=Cc3c4c(cc5cccc2c35)C(C)(C)c2ccccc2-4)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?
The InChIKey is HKUONKGGLBJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2/c1-24-22-34(25-12-5-4-6-13-25)39(32-18-10-8-15-27(24)32)38-21-20-29-35-26(14-11-19-33(35)38)23-31-36(29)28-16-7-9-17-30(28)37(31,2)3/h4-24H,1-3H3.
What are the key properties of 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene?
9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene has a molecular weight of 502.66 g/mol, XLogP of 9.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-17-(4-methyl-2-phenyl-4H-quinolin-1-yl)-17-azapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3,5,7,11,13,15,18-nonaene is sourced from PubChem (CID 146189043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).