2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline

C47H31N — CID 153275999

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline
SMILESc1ccc2c(c1)CCc1ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc1-2
InChIInChI=1S/C47H31N/c1-3-12-34-27-37(21-17-30(34)9-1)45-40-15-7-8-16-41(40)46(38-22-18-31-10-2-4-13-35(31)28-38)43-29-36(23-25-42(43)45)44-26-24-33-20-19-32-11-5-6-14-39(32)47(33)48-44/h1-18,21-29H,19-20H2
InChIKeyBAJJOPBKPHPPOS-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.46
Rot. Bonds3

About 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline (PubChem CID 153275999) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline
PubChem CID153275999
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline
SMILESc1ccc2c(c1)CCc1ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc1-2
InChIInChI=1S/C47H31N/c1-3-12-34-27-37(21-17-30(34)9-1)45-40-15-7-8-16-41(40)46(38-22-18-31-10-2-4-13-35(31)28-38)43-29-36(23-25-42(43)45)44-26-24-33-20-19-32-11-5-6-14-39(32)47(33)48-44/h1-18,21-29H,19-20H2
InChIKeyBAJJOPBKPHPPOS-UHFFFAOYSA-N
XLogP12.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.46
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

9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline (CID 153275999) is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline is c1ccc2c(c1)CCc1ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc1-2.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline?
The InChIKey is BAJJOPBKPHPPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-3-12-34-27-37(21-17-30(34)9-1)45-40-15-7-8-16-41(40)46(38-22-18-31-10-2-4-13-35(31)28-38)43-29-36(23-25-42(43)45)44-26-24-33-20-19-32-11-5-6-14-39(32)47(33)48-44/h1-18,21-29H,19-20H2.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline?
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline has a molecular weight of 609.77 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5,6-dihydrobenzo[h]quinoline is sourced from PubChem (CID 153275999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).