9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene

C51H36 — CID 144809763

IUPAC9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene
SMILESC1=C(c2ccc3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)ccc3c2)CCCc2ccccc21
InChIInChI=1S/C51H36/c1-3-12-38-30-40(15-9-14-34(38)10-1)42-27-28-43-31-41(25-26-44(43)32-42)36-20-23-37(24-21-36)50-46-16-5-7-18-48(46)51(49-19-8-6-17-47(49)50)45-29-22-35-11-2-4-13-39(35)33-45/h1-8,10-13,16-33H,9,14-15H2
InChIKeyISEDPNZMPIBBSW-UHFFFAOYSA-N
MW648.85 g/mol
LogP14.18
Rot. Bonds4

About 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene

9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene (PubChem CID 144809763) has the molecular formula C51H36 and a molecular weight of 648.85 g/mol. Its IUPAC name is 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene
PubChem CID144809763
Molecular FormulaC51H36
Molecular Weight648.85 g/mol
Exact Mass648.28
IUPAC Name9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene
SMILESC1=C(c2ccc3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)ccc3c2)CCCc2ccccc21
InChIInChI=1S/C51H36/c1-3-12-38-30-40(15-9-14-34(38)10-1)42-27-28-43-31-41(25-26-44(43)32-42)36-20-23-37(24-21-36)50-46-16-5-7-18-48(46)51(49-19-8-6-17-47(49)50)45-29-22-35-11-2-4-13-39(35)33-45/h1-8,10-13,16-33H,9,14-15H2
InChIKeyISEDPNZMPIBBSW-UHFFFAOYSA-N
XLogP14.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(3,4-dihydronaphthalen-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 123715814
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene (CID 144809763) is 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene is C1=C(c2ccc3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)ccc3c2)CCCc2ccccc21.
What is the InChIKey of 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is ISEDPNZMPIBBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36/c1-3-12-38-30-40(15-9-14-34(38)10-1)42-27-28-43-31-41(25-26-44(43)32-42)36-20-23-37(24-21-36)50-46-16-5-7-18-48(46)51(49-19-8-6-17-47(49)50)45-29-22-35-11-2-4-13-39(35)33-45/h1-8,10-13,16-33H,9,14-15H2.
What are the key properties of 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene?
9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 648.85 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(8,9-dihydro-7H-benzo[7]annulen-6-yl)naphthalen-2-yl]phenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 144809763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).