6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran

C50H34O — CID 144583605

IUPAC6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran
SMILESCC1CC=Cc2c(-c3c4ccccc4c(-c4cccc(-c5cc6c(c7c5oc5ccccc57)Cc5ccccc5-6)c4)c4ccccc34)cccc21
InChIInChI=1S/C50H34O/c1-30-13-10-24-36-34(30)23-12-25-37(36)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)33-16-11-15-31(27-33)43-29-44-35-17-3-2-14-32(35)28-45(44)49-42-22-8-9-26-46(42)51-50(43)49/h2-12,14-27,29-30H,13,28H2,1H3
InChIKeyBYUKCYKALQGDRC-UHFFFAOYSA-N
MW650.82 g/mol
LogP13.98
Rot. Bonds3

About 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran

6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran (PubChem CID 144583605) has the molecular formula C50H34O and a molecular weight of 650.82 g/mol. Its IUPAC name is 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran
PubChem CID144583605
Molecular FormulaC50H34O
Molecular Weight650.82 g/mol
Exact Mass650.26
IUPAC Name6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran
SMILESCC1CC=Cc2c(-c3c4ccccc4c(-c4cccc(-c5cc6c(c7c5oc5ccccc57)Cc5ccccc5-6)c4)c4ccccc34)cccc21
InChIInChI=1S/C50H34O/c1-30-13-10-24-36-34(30)23-12-25-37(36)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)33-16-11-15-31(27-33)43-29-44-35-17-3-2-14-32(35)28-45(44)49-42-22-8-9-26-46(42)51-50(43)49/h2-12,14-27,29-30H,13,28H2,1H3
InChIKeyBYUKCYKALQGDRC-UHFFFAOYSA-N
XLogP13.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163925926
2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170423744
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
CID 166134830
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 163923293
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130190182
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200

Frequently Asked Questions

What is the IUPAC name of 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran?
The IUPAC name of 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran (CID 144583605) is 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran?
The canonical SMILES for 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran is CC1CC=Cc2c(-c3c4ccccc4c(-c4cccc(-c5cc6c(c7c5oc5ccccc57)Cc5ccccc5-6)c4)c4ccccc34)cccc21.
What is the InChIKey of 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran?
The InChIKey is BYUKCYKALQGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34O/c1-30-13-10-24-36-34(30)23-12-25-37(36)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)33-16-11-15-31(27-33)43-29-44-35-17-3-2-14-32(35)28-45(44)49-42-22-8-9-26-46(42)51-50(43)49/h2-12,14-27,29-30H,13,28H2,1H3.
What are the key properties of 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran?
6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran has a molecular weight of 650.82 g/mol, XLogP of 13.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran is sourced from PubChem (CID 144583605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).