1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline

C163H195N9O4 — CID 158444843

IUPAC1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline
SMILESC1=Cc2ccc3ccccc3c2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc2ccccc2c1-c1c(OC)ccc2ccccc12.COc1ccccc1-c1ccccc1OC.Cc1ccc2ccccc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ncccc2c1
InChIInChI=1S/C22H18O2.C14H14O2.2C13H10.C11H10.C9H7N.C9H8.4C8H7N.2C7H6N2.13C2H6/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;13*1-2/h3-14H,1-2H3;3-10H,1-2H3;1-8H,9H2;1-6,8-9H,7H2;2-8H,1H3;1-7H;1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;13*1-2H3
InChIKeyHDGNFTPSERWAID-UHFFFAOYSA-N
MW2344.41 g/mol
LogP45.39
Rot. Bonds6

About 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline

1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline (PubChem CID 158444843) has the molecular formula C163H195N9O4 and a molecular weight of 2344.41 g/mol. Its IUPAC name is 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline.

Molecular Properties

Compound Name1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline
PubChem CID158444843
Molecular FormulaC163H195N9O4
Molecular Weight2344.41 g/mol
Exact Mass2342.53
IUPAC Name1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline
SMILESC1=Cc2ccc3ccccc3c2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc2ccccc2c1-c1c(OC)ccc2ccccc12.COc1ccccc1-c1ccccc1OC.Cc1ccc2ccccc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ncccc2c1
InChIInChI=1S/C22H18O2.C14H14O2.2C13H10.C11H10.C9H7N.C9H8.4C8H7N.2C7H6N2.13C2H6/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;13*1-2/h3-14H,1-2H3;3-10H,1-2H3;1-8H,9H2;1-6,8-9H,7H2;2-8H,1H3;1-7H;1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;13*1-2H3
InChIKeyHDGNFTPSERWAID-UHFFFAOYSA-N
XLogP45.39
TPSA152.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.41
LogP ≤ 545.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline?
The IUPAC name of 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline (CID 158444843) is 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline.
What is the SMILES notation for 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline?
The canonical SMILES for 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline is C1=Cc2ccc3ccccc3c2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc2ccccc2c1-c1c(OC)ccc2ccccc12.COc1ccccc1-c1ccccc1OC.Cc1ccc2ccccc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2ncccc2c1.
What is the InChIKey of 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline?
The InChIKey is HDGNFTPSERWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2.C14H14O2.2C13H10.C11H10.C9H7N.C9H8.4C8H7N.2C7H6N2.13C2H6/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2;1-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16-2;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;13*1-2/h3-14H,1-2H3;3-10H,1-2H3;1-8H,9H2;1-6,8-9H,7H2;2-8H,1H3;1-7H;1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;13*1-2H3.
What are the key properties of 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline?
1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline has a molecular weight of 2344.41 g/mol, XLogP of 45.39, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[a]naphthalene;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;ethane;9H-fluorene;1H-indene;2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene;1-methoxy-2-(2-methoxyphenyl)benzene;2-methylnaphthalene;quinoline is sourced from PubChem (CID 158444843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).