7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene

C54H34 — CID 59629514

IUPAC7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
SMILESc1ccc(-c2c(-c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4ccc4ccccc45)cc3c3ccccc23)cc1
InChIInChI=1S/C54H34/c1-3-17-37(18-4-1)51-44-24-12-11-23-43(44)49-34-41(30-31-47(49)52(51)38-19-5-2-6-20-38)50-45-25-13-14-26-46(45)53(40-28-27-35-15-7-8-21-39(35)33-40)54-42-22-10-9-16-36(42)29-32-48(50)54/h1-34H
InChIKeyAJIYLUHLSOYYKU-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene

7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene (PubChem CID 59629514) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene.

Molecular Properties

Compound Name7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
PubChem CID59629514
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene
SMILESc1ccc(-c2c(-c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4ccc4ccccc45)cc3c3ccccc23)cc1
InChIInChI=1S/C54H34/c1-3-17-37(18-4-1)51-44-24-12-11-23-43(44)49-34-41(30-31-47(49)52(51)38-19-5-2-6-20-38)50-45-25-13-14-26-46(45)53(40-28-27-35-15-7-8-21-39(35)33-40)54-42-22-10-9-16-36(42)29-32-48(50)54/h1-34H
InChIKeyAJIYLUHLSOYYKU-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-(4-naphthalen-2-ylphenyl)-7,10-diphenylbenzo[a]anthracene
CID 140792268
7-naphthalen-2-yl-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535897
7-naphthalen-2-yl-12-[4-(3-naphthalen-2-ylphenyl)phenyl]benzo[a]anthracene
CID 58535903
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-[10-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 153438362
16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167411794
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
3,7,10-triphenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene
CID 58453949
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027

Frequently Asked Questions

What is the IUPAC name of 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene?
The IUPAC name of 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene (CID 59629514) is 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene.
What is the SMILES notation for 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene?
The canonical SMILES for 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene is c1ccc(-c2c(-c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4ccc4ccccc45)cc3c3ccccc23)cc1.
What is the InChIKey of 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene?
The InChIKey is AJIYLUHLSOYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-3-17-37(18-4-1)51-44-24-12-11-23-43(44)49-34-41(30-31-47(49)52(51)38-19-5-2-6-20-38)50-45-25-13-14-26-46(45)53(40-28-27-35-15-7-8-21-39(35)33-40)54-42-22-10-9-16-36(42)29-32-48(50)54/h1-34H.
What are the key properties of 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene?
7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,10-diphenylphenanthren-3-yl)-12-naphthalen-2-ylbenzo[a]anthracene is sourced from PubChem (CID 59629514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).