9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene

C54H36 — CID 144837329

IUPAC9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc23)cc1
InChIInChI=1S/C54H36/c1-4-18-37(19-5-1)41-24-10-12-26-43(41)45-34-35-47(44-27-13-11-25-42(44)38-20-6-2-7-21-38)52-36-40(32-33-46(45)52)54-50-30-16-14-28-48(50)53(39-22-8-3-9-23-39)49-29-15-17-31-51(49)54/h1-36H
InChIKeyNBUSACKBFABQJQ-UHFFFAOYSA-N
MW684.88 g/mol
LogP15.15
Rot. Bonds6

About 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene

9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene (PubChem CID 144837329) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
PubChem CID144837329
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc23)cc1
InChIInChI=1S/C54H36/c1-4-18-37(19-5-1)41-24-10-12-26-43(41)45-34-35-47(44-27-13-11-25-42(44)38-20-6-2-7-21-38)52-36-40(32-33-46(45)52)54-50-30-16-14-28-48(50)53(39-22-8-3-9-23-39)49-29-15-17-31-51(49)54/h1-36H
InChIKeyNBUSACKBFABQJQ-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 515.15
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

9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837402
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
CID 58194536
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316

Frequently Asked Questions

What is the IUPAC name of 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The IUPAC name of 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene (CID 144837329) is 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The canonical SMILES for 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene is c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc23)cc1.
What is the InChIKey of 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The InChIKey is NBUSACKBFABQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-4-18-37(19-5-1)41-24-10-12-26-43(41)45-34-35-47(44-27-13-11-25-42(44)38-20-6-2-7-21-38)52-36-40(32-33-46(45)52)54-50-30-16-14-28-48(50)53(39-22-8-3-9-23-39)49-29-15-17-31-51(49)54/h1-36H.
What are the key properties of 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene?
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene has a molecular weight of 684.88 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene is sourced from PubChem (CID 144837329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).