15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene

C43H33N — CID 145280857

IUPAC15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene
SMILESCC1C=Cc2c(c3c4n2-c2cc(C5=C6C=CC=CC6C(c6ccc7ccccc7c6)c6ccccc65)ccc2C4CC=C3)C1
InChIInChI=1S/C43H33N/c1-26-17-22-39-38(23-26)37-16-8-15-36-31-21-20-30(25-40(31)44(39)43(36)37)42-34-13-6-4-11-32(34)41(33-12-5-7-14-35(33)42)29-19-18-27-9-2-3-10-28(27)24-29/h2-14,16-22,24-26,32,36,41H,15,23H2,1H3
InChIKeyPQFLDCZFVYFQQN-UHFFFAOYSA-N
MW563.74 g/mol
LogP10.39
Rot. Bonds2

About 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene

15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene (PubChem CID 145280857) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene.

Molecular Properties

Compound Name15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene
PubChem CID145280857
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene
SMILESCC1C=Cc2c(c3c4n2-c2cc(C5=C6C=CC=CC6C(c6ccc7ccccc7c6)c6ccccc65)ccc2C4CC=C3)C1
InChIInChI=1S/C43H33N/c1-26-17-22-39-38(23-26)37-16-8-15-36-31-21-20-30(25-40(31)44(39)43(36)37)42-34-13-6-4-11-32(34)41(33-12-5-7-14-35(33)42)29-19-18-27-9-2-3-10-28(27)24-29/h2-14,16-22,24-26,32,36,41H,15,23H2,1H3
InChIKeyPQFLDCZFVYFQQN-UHFFFAOYSA-N
XLogP10.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene?
The IUPAC name of 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene (CID 145280857) is 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene.
What is the SMILES notation for 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene?
The canonical SMILES for 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene is CC1C=Cc2c(c3c4n2-c2cc(C5=C6C=CC=CC6C(c6ccc7ccccc7c6)c6ccccc65)ccc2C4CC=C3)C1.
What is the InChIKey of 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene?
The InChIKey is PQFLDCZFVYFQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-26-17-22-39-38(23-26)37-16-8-15-36-31-21-20-30(25-40(31)44(39)43(36)37)42-34-13-6-4-11-32(34)41(33-12-5-7-14-35(33)42)29-19-18-27-9-2-3-10-28(27)24-29/h2-14,16-22,24-26,32,36,41H,15,23H2,1H3.
What are the key properties of 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene?
15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene has a molecular weight of 563.74 g/mol, XLogP of 10.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-4-(10-naphthalen-2-yl-4a,10-dihydroanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13(18),16-heptaene is sourced from PubChem (CID 145280857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).