1,2-bis(9H-fluoren-1-yl)anthracene

C40H26 — CID 174494637

IUPAC1,2-bis(9H-fluoren-1-yl)anthracene
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1ccc2cc3ccccc3cc2c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C40H26/c1-2-10-26-22-37-29(21-25(26)9-1)19-20-36(34-17-7-15-32-30-13-5-3-11-27(30)23-38(32)34)40(37)35-18-8-16-33-31-14-6-4-12-28(31)24-39(33)35/h1-22H,23-24H2
InChIKeyFVTOUBJCXCPYEX-UHFFFAOYSA-N
MW506.65 g/mol
LogP10.47
Rot. Bonds2

About 1,2-bis(9H-fluoren-1-yl)anthracene

1,2-bis(9H-fluoren-1-yl)anthracene (PubChem CID 174494637) has the molecular formula C40H26 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1,2-bis(9H-fluoren-1-yl)anthracene.

Molecular Properties

Compound Name1,2-bis(9H-fluoren-1-yl)anthracene
PubChem CID174494637
Molecular FormulaC40H26
Molecular Weight506.65 g/mol
Exact Mass506.20
IUPAC Name1,2-bis(9H-fluoren-1-yl)anthracene
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1ccc2cc3ccccc3cc2c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C40H26/c1-2-10-26-22-37-29(21-25(26)9-1)19-20-36(34-17-7-15-32-30-13-5-3-11-27(30)23-38(32)34)40(37)35-18-8-16-33-31-14-6-4-12-28(31)24-39(33)35/h1-22H,23-24H2
InChIKeyFVTOUBJCXCPYEX-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-1-yl)anthracene
CID 151119003
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
CID 141372306
1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
CID 166545030
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
CID 159466514
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
anthracene;fluoranthene;9H-fluorene
CID 162240077
2-benzhydryl-10-(9H-fluoren-1-yl)-11H-benzo[b]fluorene
CID 169295293
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(9H-fluoren-1-yl)anthracene?
The IUPAC name of 1,2-bis(9H-fluoren-1-yl)anthracene (CID 174494637) is 1,2-bis(9H-fluoren-1-yl)anthracene.
What is the SMILES notation for 1,2-bis(9H-fluoren-1-yl)anthracene?
The canonical SMILES for 1,2-bis(9H-fluoren-1-yl)anthracene is c1ccc2c(c1)Cc1c-2cccc1-c1ccc2cc3ccccc3cc2c1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,2-bis(9H-fluoren-1-yl)anthracene?
The InChIKey is FVTOUBJCXCPYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26/c1-2-10-26-22-37-29(21-25(26)9-1)19-20-36(34-17-7-15-32-30-13-5-3-11-27(30)23-38(32)34)40(37)35-18-8-16-33-31-14-6-4-12-28(31)24-39(33)35/h1-22H,23-24H2.
What are the key properties of 1,2-bis(9H-fluoren-1-yl)anthracene?
1,2-bis(9H-fluoren-1-yl)anthracene has a molecular weight of 506.65 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(9H-fluoren-1-yl)anthracene is sourced from PubChem (CID 174494637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).