3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene

C42H28 — CID 144726296

IUPAC3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)CCc4ccc6ccccc6c4-5)c4ccccc34)cccc2c1
InChIInChI=1S/C42H28/c1-3-13-32-27(10-1)12-9-19-35(32)42-38-17-7-5-15-36(38)41(37-16-6-8-18-39(37)42)31-24-25-34-30(26-31)23-22-29-21-20-28-11-2-4-14-33(28)40(29)34/h1-21,24-26H,22-23H2
InChIKeyMJRWDGAYDDCDJP-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.40
Rot. Bonds2

About 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene

3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene (PubChem CID 144726296) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene.

Molecular Properties

Compound Name3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene
PubChem CID144726296
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)CCc4ccc6ccccc6c4-5)c4ccccc34)cccc2c1
InChIInChI=1S/C42H28/c1-3-13-32-27(10-1)12-9-19-35(32)42-38-17-7-5-15-36(38)41(37-16-6-8-18-39(37)42)31-24-25-34-30(26-31)23-22-29-21-20-28-11-2-4-14-33(28)40(29)34/h1-21,24-26H,22-23H2
InChIKeyMJRWDGAYDDCDJP-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
CID 160788776
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
CID 58194536
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene?
The IUPAC name of 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene (CID 144726296) is 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene.
What is the SMILES notation for 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene?
The canonical SMILES for 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene is c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)CCc4ccc6ccccc6c4-5)c4ccccc34)cccc2c1.
What is the InChIKey of 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene?
The InChIKey is MJRWDGAYDDCDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-13-32-27(10-1)12-9-19-35(32)42-38-17-7-5-15-36(38)41(37-16-6-8-18-39(37)42)31-24-25-34-30(26-31)23-22-29-21-20-28-11-2-4-14-33(28)40(29)34/h1-21,24-26H,22-23H2.
What are the key properties of 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene?
3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene has a molecular weight of 532.69 g/mol, XLogP of 11.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene is sourced from PubChem (CID 144726296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).