8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C40H35N5 — CID 118047929

IUPAC8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCc1nn(-c2ccc3c(c2)N2c4cc(-n5nc(C)c6ccccc65)ccc4C(C)(C)c4cccc(c42)C3(C)C)c2ccccc12
InChIInChI=1S/C40H35N5/c1-24-28-12-7-9-16-34(28)44(41-24)26-18-20-30-36(22-26)43-37-23-27(45-35-17-10-8-13-29(35)25(2)42-45)19-21-31(37)40(5,6)33-15-11-14-32(38(33)43)39(30,3)4/h7-23H,1-6H3
InChIKeyZFPSNMQNUSCUHW-UHFFFAOYSA-N
MW585.76 g/mol
LogP9.73
Rot. Bonds2

About 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 118047929) has the molecular formula C40H35N5 and a molecular weight of 585.76 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID118047929
Molecular FormulaC40H35N5
Molecular Weight585.76 g/mol
Exact Mass585.29
IUPAC Name8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCc1nn(-c2ccc3c(c2)N2c4cc(-n5nc(C)c6ccccc65)ccc4C(C)(C)c4cccc(c42)C3(C)C)c2ccccc12
InChIInChI=1S/C40H35N5/c1-24-28-12-7-9-16-34(28)44(41-24)26-18-20-30-36(22-26)43-37-23-27(45-35-17-10-8-13-29(35)25(2)42-45)19-21-31(37)40(5,6)33-15-11-14-32(38(33)43)39(30,3)4/h7-23H,1-6H3
InChIKeyZFPSNMQNUSCUHW-UHFFFAOYSA-N
XLogP9.73
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.76
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

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CID 105497706
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10-(3,5-dimethylphenyl)-14-[10-[10-(3,5-dimethylphenyl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl]anthracen-9-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459729
8-[8-(14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)dibenzothiophen-2-yl]-14,14-dimethyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443229
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
5,8,8,14,14,22,22-heptamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 118518030
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene
CID 140926254
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
14-[10-(21,21-dimethyl-10-pyridin-3-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21,21-dimethyl-10-pyridin-3-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459524
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 118047929) is 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is Cc1nn(-c2ccc3c(c2)N2c4cc(-n5nc(C)c6ccccc65)ccc4C(C)(C)c4cccc(c42)C3(C)C)c2ccccc12.
What is the InChIKey of 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is ZFPSNMQNUSCUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N5/c1-24-28-12-7-9-16-34(28)44(41-24)26-18-20-30-36(22-26)43-37-23-27(45-35-17-10-8-13-29(35)25(2)42-45)19-21-31(37)40(5,6)33-15-11-14-32(38(33)43)39(30,3)4/h7-23H,1-6H3.
What are the key properties of 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 585.76 g/mol, XLogP of 9.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 118047929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).