9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline

C58H38N2 — CID 172547604

IUPAC9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline
SMILESC1=CC2C=Cc3ccc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)nc3C2N=C1c1ccccc1
InChIInChI=1S/C58H38N2/c1-2-12-40(13-3-1)53-32-29-42-24-25-43-30-33-54(60-58(43)57(42)59-53)41-22-18-39(19-23-41)46-28-31-51-52(36-46)56(48-27-21-38-11-5-7-15-45(38)35-48)50-17-9-8-16-49(50)55(51)47-26-20-37-10-4-6-14-44(37)34-47/h1-36,42,57H
InChIKeyGCULVERGMVSSBO-UHFFFAOYSA-N
MW762.96 g/mol
LogP15.11
Rot. Bonds5

About 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline

9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline (PubChem CID 172547604) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline
PubChem CID172547604
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC Name9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline
SMILESC1=CC2C=Cc3ccc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)nc3C2N=C1c1ccccc1
InChIInChI=1S/C58H38N2/c1-2-12-40(13-3-1)53-32-29-42-24-25-43-30-33-54(60-58(43)57(42)59-53)41-22-18-39(19-23-41)46-28-31-51-52(36-46)56(48-27-21-38-11-5-7-15-45(38)35-48)50-17-9-8-16-49(50)55(51)47-26-20-37-10-4-6-14-44(37)34-47/h1-36,42,57H
InChIKeyGCULVERGMVSSBO-UHFFFAOYSA-N
XLogP15.11
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
9-[4-(4,5-dinaphthalen-2-ylanthracen-9-yl)phenyl]-4a,10b-dihydro-1,10-phenanthroline
CID 139501411
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
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-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline?
The IUPAC name of 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline (CID 172547604) is 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline.
What is the SMILES notation for 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline?
The canonical SMILES for 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline is C1=CC2C=Cc3ccc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)nc3C2N=C1c1ccccc1.
What is the InChIKey of 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline?
The InChIKey is GCULVERGMVSSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-2-12-40(13-3-1)53-32-29-42-24-25-43-30-33-54(60-58(43)57(42)59-53)41-22-18-39(19-23-41)46-28-31-51-52(36-46)56(48-27-21-38-11-5-7-15-45(38)35-48)50-17-9-8-16-49(50)55(51)47-26-20-37-10-4-6-14-44(37)34-47/h1-36,42,57H.
What are the key properties of 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline?
9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline has a molecular weight of 762.96 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenyl-4a,10b-dihydro-1,10-phenanthroline is sourced from PubChem (CID 172547604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).