5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine

C39H29N3 — CID 142352639

IUPAC5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine
SMILESCC1(C)c2cc(-c3ccc4ccccc4n3)ccc2N(c2ccccc2)c2nccc(-c3cccc4ccccc34)c21
InChIInChI=1S/C39H29N3/c1-39(2)33-25-28(35-21-19-27-12-7-9-18-34(27)41-35)20-22-36(33)42(29-14-4-3-5-15-29)38-37(39)32(23-24-40-38)31-17-10-13-26-11-6-8-16-30(26)31/h3-25H,1-2H3
InChIKeyVIEPJDCQUJNIGT-UHFFFAOYSA-N
MW539.68 g/mol
LogP10.23
Rot. Bonds3

About 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine

5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine (PubChem CID 142352639) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine
PubChem CID142352639
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine
SMILESCC1(C)c2cc(-c3ccc4ccccc4n3)ccc2N(c2ccccc2)c2nccc(-c3cccc4ccccc34)c21
InChIInChI=1S/C39H29N3/c1-39(2)33-25-28(35-21-19-27-12-7-9-18-34(27)41-35)20-22-36(33)42(29-14-4-3-5-15-29)38-37(39)32(23-24-40-38)31-17-10-13-26-11-6-8-16-30(26)31/h3-25H,1-2H3
InChIKeyVIEPJDCQUJNIGT-UHFFFAOYSA-N
XLogP10.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine with MolForge

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Related Compounds

2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
9,9-dimethyl-10-phenyl-2-(5-phenyl-2-pyridinyl)acridine;9,9-dimethyl-2-(4-phenylphenyl)-10-quinolin-2-ylacridine;9,9-dimethyl-2-phenyl-10-(3-quinolin-2-ylphenyl)acridine;2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 159597854
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 71478787
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
CID 168797147
6,6-dimethyl-5-(2-methyl-4-quinolin-2-ylphenyl)phenanthridine
CID 70884385
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
2-(23,23-diethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)quinoline
CID 140841960
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine?
The IUPAC name of 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine (CID 142352639) is 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine.
What is the SMILES notation for 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine?
The canonical SMILES for 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine is CC1(C)c2cc(-c3ccc4ccccc4n3)ccc2N(c2ccccc2)c2nccc(-c3cccc4ccccc34)c21.
What is the InChIKey of 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine?
The InChIKey is VIEPJDCQUJNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-39(2)33-25-28(35-21-19-27-12-7-9-18-34(27)41-35)20-22-36(33)42(29-14-4-3-5-15-29)38-37(39)32(23-24-40-38)31-17-10-13-26-11-6-8-16-30(26)31/h3-25H,1-2H3.
What are the key properties of 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine?
5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine has a molecular weight of 539.68 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-naphthalen-1-yl-10-phenyl-7-quinolin-2-ylbenzo[b][1,8]naphthyridine is sourced from PubChem (CID 142352639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).