2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene

C198H172 — CID 158599405

IUPAC2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene
SMILESCc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)C=CC4)CC=C3.Cc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)CC=C4)C=CC3.Cc1cc2cc3cc4c(cc3cc2cc1CCCc1cc2cc3cc5c(cc3cc2cc1C)C=CC5)C=CC4.Cc1cc2cc3cc4c(cc3cc2cc1CCCc1cc2cc3cc5c(cc3cc2cc1C)CC=C5)C=CC4.Cc1cc2cc3ccccc3cc2cc1CCCc1cc2cc3ccccc3cc2cc1C.Cc1cc2ccccc2cc1CCCc1cc2ccccc2cc1C
InChIInChI=1S/2C39H32.C33H28.2C31H28.C25H24/c2*1-24-12-32-20-36-16-28-8-4-10-30(28)18-38(36)22-34(32)14-26(24)6-3-7-27-15-35-23-39-19-31-11-5-9-29(31)17-37(39)21-33(35)13-25(27)2;1-22-14-30-18-26-8-3-5-10-28(26)20-32(30)16-24(22)12-7-13-25-17-33-21-29-11-6-4-9-27(29)19-31(33)15-23(25)2;2*1-20-12-28-16-24-8-4-10-26(24)18-30(28)14-22(20)6-3-7-23-15-31-19-27-11-5-9-25(27)17-29(31)13-21(23)2;1-18-14-22-8-3-5-10-24(22)16-20(18)12-7-13-21-17-25-11-6-4-9-23(25)15-19(21)2/h4-5,10-23H,3,6-9H2,1-2H3;4-5,8,11-23H,3,6-7,9-10H2,1-2H3;3-6,8-11,14-21H,7,12-13H2,1-2H3;4-5,10-19H,3,6-9H2,1-2H3;4-5,8-9,12-19H,3,6-7,10-11H2,1-2H3;3-6,8-11,14-17H,7,12-13H2,1-2H3
InChIKeyHVLGMWRYTRAODP-UHFFFAOYSA-N
MW2551.55 g/mol
LogP52.18
Rot. Bonds24

About 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene

2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene (PubChem CID 158599405) has the molecular formula C198H172 and a molecular weight of 2551.55 g/mol. Its IUPAC name is 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene.

Molecular Properties

Compound Name2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene
PubChem CID158599405
Molecular FormulaC198H172
Molecular Weight2551.55 g/mol
Exact Mass2549.35
IUPAC Name2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene
SMILESCc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)C=CC4)CC=C3.Cc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)CC=C4)C=CC3.Cc1cc2cc3cc4c(cc3cc2cc1CCCc1cc2cc3cc5c(cc3cc2cc1C)C=CC5)C=CC4.Cc1cc2cc3cc4c(cc3cc2cc1CCCc1cc2cc3cc5c(cc3cc2cc1C)CC=C5)C=CC4.Cc1cc2cc3ccccc3cc2cc1CCCc1cc2cc3ccccc3cc2cc1C.Cc1cc2ccccc2cc1CCCc1cc2ccccc2cc1C
InChIInChI=1S/2C39H32.C33H28.2C31H28.C25H24/c2*1-24-12-32-20-36-16-28-8-4-10-30(28)18-38(36)22-34(32)14-26(24)6-3-7-27-15-35-23-39-19-31-11-5-9-29(31)17-37(39)21-33(35)13-25(27)2;1-22-14-30-18-26-8-3-5-10-28(26)20-32(30)16-24(22)12-7-13-25-17-33-21-29-11-6-4-9-27(29)19-31(33)15-23(25)2;2*1-20-12-28-16-24-8-4-10-26(24)18-30(28)14-22(20)6-3-7-23-15-31-19-27-11-5-9-25(27)17-29(31)13-21(23)2;1-18-14-22-8-3-5-10-24(22)16-20(18)12-7-13-21-17-25-11-6-4-9-23(25)15-19(21)2/h4-5,10-23H,3,6-9H2,1-2H3;4-5,8,11-23H,3,6-7,9-10H2,1-2H3;3-6,8-11,14-21H,7,12-13H2,1-2H3;4-5,10-19H,3,6-9H2,1-2H3;4-5,8-9,12-19H,3,6-7,10-11H2,1-2H3;3-6,8-11,14-17H,7,12-13H2,1-2H3
InChIKeyHVLGMWRYTRAODP-UHFFFAOYSA-N
XLogP52.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002551.55
LogP ≤ 552.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene with MolForge

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Related Compounds

heptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,4,6,8,11,13,15,17,19,21(25),23,26-tridecaene
CID 159780019
2-butyl-3-methylnaphthalene
CID 173304138
6-methyl-5-[3-(6-methyl-5-tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaenyl)propyl]tetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,4,6,8,11(15),13-heptaene
CID 159714692
1,2-dihydrotetracene
CID 526645
benzene;1H-indene;naphthalene;toluene;1,3,5-trimethylbenzene;1,2-xylene
CID 159465264
tetracyclo[9.8.0.03,9.013,18]nonadeca-1(19),2,4,7,9,11,13,15,17-nonaene
CID 143380612
1,4-dihydroanthracene
CID 10142816
11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 160875333
2,3-dioctadecylpentacene
CID 91251003
5-methyl-1H-indene;propane
CID 91103814
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CID 14089075
methyl-bis[(3-methylnaphthalen-2-yl)methyl]phosphane
CID 157383217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene?
The IUPAC name of 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene (CID 158599405) is 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene.
What is the SMILES notation for 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene?
The canonical SMILES for 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene is Cc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)C=CC4)CC=C3.Cc1cc2cc3c(cc2cc1CCCc1cc2cc4c(cc2cc1C)CC=C4)C=CC3.Cc1cc2cc3cc4c(cc3cc2cc1CCCc1cc2cc3cc5c(cc3cc2cc1C)C=CC5)C=CC4.Cc1cc2cc3cc4c(cc3cc2cc1CCCc1cc2cc3cc5c(cc3cc2cc1C)CC=C5)C=CC4.Cc1cc2cc3ccccc3cc2cc1CCCc1cc2cc3ccccc3cc2cc1C.Cc1cc2ccccc2cc1CCCc1cc2ccccc2cc1C.
What is the InChIKey of 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene?
The InChIKey is HVLGMWRYTRAODP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H32.C33H28.2C31H28.C25H24/c2*1-24-12-32-20-36-16-28-8-4-10-30(28)18-38(36)22-34(32)14-26(24)6-3-7-27-15-35-23-39-19-31-11-5-9-29(31)17-37(39)21-33(35)13-25(27)2;1-22-14-30-18-26-8-3-5-10-28(26)20-32(30)16-24(22)12-7-13-25-17-33-21-29-11-6-4-9-27(29)19-31(33)15-23(25)2;2*1-20-12-28-16-24-8-4-10-26(24)18-30(28)14-22(20)6-3-7-23-15-31-19-27-11-5-9-25(27)17-29(31)13-21(23)2;1-18-14-22-8-3-5-10-24(22)16-20(18)12-7-13-21-17-25-11-6-4-9-23(25)15-19(21)2/h4-5,10-23H,3,6-9H2,1-2H3;4-5,8,11-23H,3,6-7,9-10H2,1-2H3;3-6,8-11,14-21H,7,12-13H2,1-2H3;4-5,10-19H,3,6-9H2,1-2H3;4-5,8-9,12-19H,3,6-7,10-11H2,1-2H3;3-6,8-11,14-17H,7,12-13H2,1-2H3.
What are the key properties of 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene?
2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene has a molecular weight of 2551.55 g/mol, XLogP of 52.18, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(3-methylanthracen-2-yl)propyl]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-1H-cyclopenta[b]anthracene;8-methyl-7-[3-(8-methyl-1H-cyclopenta[b]anthracen-7-yl)propyl]-3H-cyclopenta[b]anthracene;7-methyl-6-[3-(7-methyl-1H-cyclopenta[b]naphthalen-6-yl)propyl]-1H-cyclopenta[b]naphthalene;7-methyl-6-[3-(7-methyl-3H-cyclopenta[b]naphthalen-6-yl)propyl]-3H-cyclopenta[b]naphthalene;2-methyl-3-[3-(3-methylnaphthalen-2-yl)propyl]naphthalene is sourced from PubChem (CID 158599405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).