2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine

C45H31N — CID 141492916

IUPAC2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3Nc3ccc(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C45H31N/c1-3-17-35(18-4-1)45(36-19-5-2-6-20-36)41-29-33(39-23-11-15-31-13-7-9-21-37(31)39)25-27-43(41)46-44-28-26-34(30-42(44)45)40-24-12-16-32-14-8-10-22-38(32)40/h1-30,46H
InChIKeyHTWBVYKGWIVVSX-UHFFFAOYSA-N
MW585.75 g/mol
LogP11.77
Rot. Bonds4

About 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine

2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine (PubChem CID 141492916) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine.

Molecular Properties

Compound Name2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
PubChem CID141492916
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC Name2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3Nc3ccc(-c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C45H31N/c1-3-17-35(18-4-1)45(36-19-5-2-6-20-36)41-29-33(39-23-11-15-31-13-7-9-21-37(31)39)25-27-43(41)46-44-28-26-34(30-42(44)45)40-24-12-16-32-14-8-10-22-38(32)40/h1-30,46H
InChIKeyHTWBVYKGWIVVSX-UHFFFAOYSA-N
XLogP11.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 511.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
9,9-diphenyl-2,7-bis(4-phenylphenyl)-10H-acridine
CID 141492904
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980

Frequently Asked Questions

What is the IUPAC name of 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine?
The IUPAC name of 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine (CID 141492916) is 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine.
What is the SMILES notation for 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine?
The canonical SMILES for 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine is c1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3Nc3ccc(-c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine?
The InChIKey is HTWBVYKGWIVVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-3-17-35(18-4-1)45(36-19-5-2-6-20-36)41-29-33(39-23-11-15-31-13-7-9-21-37(31)39)25-27-43(41)46-44-28-26-34(30-42(44)45)40-24-12-16-32-14-8-10-22-38(32)40/h1-30,46H.
What are the key properties of 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine?
2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine has a molecular weight of 585.75 g/mol, XLogP of 11.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine is sourced from PubChem (CID 141492916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).