9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole

C85H80N2 — CID 158525164

IUPAC9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole
SMILESCc1c2ccccc2c(C)c2cc3ccccc3cc12.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)nc1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2C
InChIInChI=1S/C20H16.C16H14.C15H15N.C15H14.C12H12.C7H9N/c1-13-17-9-5-6-10-18(17)14(2)20-12-16-8-4-3-7-15(16)11-19(13)20;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-6-3-4-7(2)8-5-6/h3-12H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;3-8H,9H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3
InChIKeyHMRVRVYYUKNTBW-UHFFFAOYSA-N
MW1129.59 g/mol
LogP23.35
Rot. Bonds

About 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole

9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole (PubChem CID 158525164) has the molecular formula C85H80N2 and a molecular weight of 1129.59 g/mol. Its IUPAC name is 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole.

Molecular Properties

Compound Name9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole
PubChem CID158525164
Molecular FormulaC85H80N2
Molecular Weight1129.59 g/mol
Exact Mass1128.63
IUPAC Name9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole
SMILESCc1c2ccccc2c(C)c2cc3ccccc3cc12.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)nc1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2C
InChIInChI=1S/C20H16.C16H14.C15H15N.C15H14.C12H12.C7H9N/c1-13-17-9-5-6-10-18(17)14(2)20-12-16-8-4-3-7-15(16)11-19(13)20;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-6-3-4-7(2)8-5-6/h3-12H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;3-8H,9H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3
InChIKeyHMRVRVYYUKNTBW-UHFFFAOYSA-N
XLogP23.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.59
LogP ≤ 523.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene
CID 162125904
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
CID 165012319
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;ethane;1-methyl-3-(4-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;1,3-xylene;1,4-xylene;bis(yttrium)
CID 160997034
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
CID 159823913
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
5,9-dimethyl-7H-benzo[c]fluorene;2,7-dimethyl-9H-fluorene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 158732726
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene
CID 158890924

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole?
The IUPAC name of 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole (CID 158525164) is 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole.
What is the SMILES notation for 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole?
The canonical SMILES for 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole is Cc1c2ccccc2c(C)c2cc3ccccc3cc12.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)nc1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2C.
What is the InChIKey of 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole?
The InChIKey is HMRVRVYYUKNTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C16H14.C15H15N.C15H14.C12H12.C7H9N/c1-13-17-9-5-6-10-18(17)14(2)20-12-16-8-4-3-7-15(16)11-19(13)20;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-6-3-4-7(2)8-5-6/h3-12H,1-2H3;3-10H,1-2H3;4-9H,1-3H3;3-8H,9H2,1-2H3;3-8H,1-2H3;3-5H,1-2H3.
What are the key properties of 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole?
9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole has a molecular weight of 1129.59 g/mol, XLogP of 23.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene;2,7-dimethyl-9H-fluorene;1,4-dimethylnaphthalene;2,5-dimethylpyridine;5,12-dimethyltetracene;3,6,9-trimethylcarbazole is sourced from PubChem (CID 158525164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).