9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine

C61H41N — CID 129163105

IUPAC9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine
SMILESC=C1c2ccc(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)cc2-c2ccccc2N1c1ccccc1C
InChIInChI=1S/C61H41N/c1-39-14-3-11-24-58(39)62-40(2)51-32-30-47(37-56(51)52-21-10-12-25-59(52)62)45-19-13-20-46(34-45)48-31-33-55-57(38-48)61(50-29-27-42-16-5-7-18-44(42)36-50)54-23-9-8-22-53(54)60(55)49-28-26-41-15-4-6-17-43(41)35-49/h3-38H,2H2,1H3
InChIKeyIRCIEEFUEARCFL-UHFFFAOYSA-N
MW788.01 g/mol
LogP17.07
Rot. Bonds5

About 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine

9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine (PubChem CID 129163105) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine.

Molecular Properties

Compound Name9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine
PubChem CID129163105
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC Name9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine
SMILESC=C1c2ccc(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)cc2-c2ccccc2N1c1ccccc1C
InChIInChI=1S/C61H41N/c1-39-14-3-11-24-58(39)62-40(2)51-32-30-47(37-56(51)52-21-10-12-25-59(52)62)45-19-13-20-46(34-45)48-31-33-55-57(38-48)61(50-29-27-42-16-5-7-18-44(42)36-50)54-23-9-8-22-53(54)60(55)49-28-26-41-15-4-6-17-43(41)35-49/h3-38H,2H2,1H3
InChIKeyIRCIEEFUEARCFL-UHFFFAOYSA-N
XLogP17.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 517.07
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

4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene
CID 121400657
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
14-phenyl-4-(6-triphenylen-2-ylnaphthalen-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene;14-phenyl-4-[3-(4-triphenylen-2-ylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 161349257
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine?
The IUPAC name of 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine (CID 129163105) is 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine.
What is the SMILES notation for 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine?
The canonical SMILES for 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine is C=C1c2ccc(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)cc2-c2ccccc2N1c1ccccc1C.
What is the InChIKey of 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine?
The InChIKey is IRCIEEFUEARCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-39-14-3-11-24-58(39)62-40(2)51-32-30-47(37-56(51)52-21-10-12-25-59(52)62)45-19-13-20-46(34-45)48-31-33-55-57(38-48)61(50-29-27-42-16-5-7-18-44(42)36-50)54-23-9-8-22-53(54)60(55)49-28-26-41-15-4-6-17-43(41)35-49/h3-38H,2H2,1H3.
What are the key properties of 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine?
9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine has a molecular weight of 788.01 g/mol, XLogP of 17.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methylidene-5-(2-methylphenyl)phenanthridine is sourced from PubChem (CID 129163105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).