6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine

C47H29N — CID 58323745

IUPAC6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nc6ccccc6c6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C47H29N/c1-3-13-32-27-34(23-21-30(32)11-1)45-39-17-6-7-18-40(39)46(35-24-22-31-12-2-4-14-33(31)28-35)43-29-36(25-26-41(43)45)47-42-19-8-5-15-37(42)38-16-9-10-20-44(38)48-47/h1-29H
InChIKeyGCZKDHJWRSZLMZ-UHFFFAOYSA-N
MW607.76 g/mol
LogP13.00
Rot. Bonds3

About 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine

6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine (PubChem CID 58323745) has the molecular formula C47H29N and a molecular weight of 607.76 g/mol. Its IUPAC name is 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine.

Molecular Properties

Compound Name6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
PubChem CID58323745
Molecular FormulaC47H29N
Molecular Weight607.76 g/mol
Exact Mass607.23
IUPAC Name6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nc6ccccc6c6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C47H29N/c1-3-13-32-27-34(23-21-30(32)11-1)45-39-17-6-7-18-40(39)46(35-24-22-31-12-2-4-14-33(31)28-35)43-29-36(25-26-41(43)45)47-42-19-8-5-15-37(42)38-16-9-10-20-44(38)48-47/h1-29H
InChIKeyGCZKDHJWRSZLMZ-UHFFFAOYSA-N
XLogP13.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
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
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949

Frequently Asked Questions

What is the IUPAC name of 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine?
The IUPAC name of 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine (CID 58323745) is 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine.
What is the SMILES notation for 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine?
The canonical SMILES for 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nc6ccccc6c6ccccc56)ccc34)ccc2c1.
What is the InChIKey of 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine?
The InChIKey is GCZKDHJWRSZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N/c1-3-13-32-27-34(23-21-30(32)11-1)45-39-17-6-7-18-40(39)46(35-24-22-31-12-2-4-14-33(31)28-35)43-29-36(25-26-41(43)45)47-42-19-8-5-15-37(42)38-16-9-10-20-44(38)48-47/h1-29H.
What are the key properties of 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine?
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine has a molecular weight of 607.76 g/mol, XLogP of 13.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine is sourced from PubChem (CID 58323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).