2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene

C135H90 — CID 161318804

IUPAC2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene
SMILESCc1ccc(-c2ccc3c(c2)c(-c2ccc4ccccc4c2)cc2c4ccccc4c(-c4ccc5ccccc5c4)cc32)cc1.Cc1ccc(-c2ccc3c(c2)c(-c2cccc4ccccc24)cc2c4ccccc4c(-c4cccc5ccccc45)cc32)cc1.Cc1cccc(-c2ccc3c(c2)c(-c2cccc4ccccc24)cc2c4ccccc4c(-c4cccc5ccccc45)cc32)c1
InChIInChI=1S/3C45H30/c1-29-11-8-16-32(25-29)33-23-24-40-41(26-33)43(37-22-10-15-31-13-3-5-18-35(31)37)28-44-39-20-7-6-19-38(39)42(27-45(40)44)36-21-9-14-30-12-2-4-17-34(30)36;1-29-20-22-30(23-21-29)33-24-25-40-41(26-33)43(37-19-9-13-32-11-3-5-15-35(32)37)28-44-39-17-7-6-16-38(39)42(27-45(40)44)36-18-8-12-31-10-2-4-14-34(31)36;1-29-14-16-32(17-15-29)35-22-23-40-43(26-35)42(37-21-19-31-9-3-5-11-34(31)25-37)28-44-39-13-7-6-12-38(39)41(27-45(40)44)36-20-18-30-8-2-4-10-33(30)24-36/h3*2-28H,1H3
InChIKeyVJWAZTWORRKUHZ-UHFFFAOYSA-N
MW1712.20 g/mol
LogP38.29
Rot. Bonds9

About 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene

2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene (PubChem CID 161318804) has the molecular formula C135H90 and a molecular weight of 1712.20 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene.

Molecular Properties

Compound Name2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene
PubChem CID161318804
Molecular FormulaC135H90
Molecular Weight1712.20 g/mol
Exact Mass1710.70
IUPAC Name2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene
SMILESCc1ccc(-c2ccc3c(c2)c(-c2ccc4ccccc4c2)cc2c4ccccc4c(-c4ccc5ccccc5c4)cc32)cc1.Cc1ccc(-c2ccc3c(c2)c(-c2cccc4ccccc24)cc2c4ccccc4c(-c4cccc5ccccc45)cc32)cc1.Cc1cccc(-c2ccc3c(c2)c(-c2cccc4ccccc24)cc2c4ccccc4c(-c4cccc5ccccc45)cc32)c1
InChIInChI=1S/3C45H30/c1-29-11-8-16-32(25-29)33-23-24-40-41(26-33)43(37-22-10-15-31-13-3-5-18-35(31)37)28-44-39-20-7-6-19-38(39)42(27-45(40)44)36-21-9-14-30-12-2-4-17-34(30)36;1-29-20-22-30(23-21-29)33-24-25-40-41(26-33)43(37-19-9-13-32-11-3-5-15-35(32)37)28-44-39-17-7-6-16-38(39)42(27-45(40)44)36-18-8-12-31-10-2-4-14-34(31)36;1-29-14-16-32(17-15-29)35-22-23-40-43(26-35)42(37-21-19-31-9-3-5-11-34(31)25-37)28-44-39-13-7-6-12-38(39)41(27-45(40)44)36-20-18-30-8-2-4-10-33(30)24-36/h3*2-28H,1H3
InChIKeyVJWAZTWORRKUHZ-UHFFFAOYSA-N
XLogP38.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.20
LogP ≤ 538.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene with MolForge

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Related Compounds

6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2,8-dimethyl-6,12-bis(3-naphthalen-1-ylphenyl)chrysene
CID 59434520
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene
CID 162097348
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
2,7-bis(3-phenylnaphthalen-2-yl)phenanthrene;2,9-diphenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(3,4-diphenylphenyl)-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-(4-methylphenyl)-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-1-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene;2-naphthalen-2-yl-9-phenyl-7-(3-phenylnaphthalen-2-yl)phenanthrene
CID 162038318
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
10-naphthalen-2-yl-21-(3-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629400

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene?
The IUPAC name of 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene (CID 161318804) is 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene.
What is the SMILES notation for 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene?
The canonical SMILES for 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene is Cc1ccc(-c2ccc3c(c2)c(-c2ccc4ccccc4c2)cc2c4ccccc4c(-c4ccc5ccccc5c4)cc32)cc1.Cc1ccc(-c2ccc3c(c2)c(-c2cccc4ccccc24)cc2c4ccccc4c(-c4cccc5ccccc45)cc32)cc1.Cc1cccc(-c2ccc3c(c2)c(-c2cccc4ccccc24)cc2c4ccccc4c(-c4cccc5ccccc45)cc32)c1.
What is the InChIKey of 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene?
The InChIKey is VJWAZTWORRKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H30/c1-29-11-8-16-32(25-29)33-23-24-40-41(26-33)43(37-22-10-15-31-13-3-5-18-35(31)37)28-44-39-20-7-6-19-38(39)42(27-45(40)44)36-21-9-14-30-12-2-4-17-34(30)36;1-29-20-22-30(23-21-29)33-24-25-40-41(26-33)43(37-19-9-13-32-11-3-5-15-35(32)37)28-44-39-17-7-6-16-38(39)42(27-45(40)44)36-18-8-12-31-10-2-4-14-34(31)36;1-29-14-16-32(17-15-29)35-22-23-40-43(26-35)42(37-21-19-31-9-3-5-11-34(31)25-37)28-44-39-13-7-6-12-38(39)41(27-45(40)44)36-20-18-30-8-2-4-10-33(30)24-36/h3*2-28H,1H3.
What are the key properties of 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene?
2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene has a molecular weight of 1712.20 g/mol, XLogP of 38.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-1-ylchrysene;2-(4-methylphenyl)-6,12-dinaphthalen-2-ylchrysene is sourced from PubChem (CID 161318804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).