10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine

C53H41NO — CID 167232450

IUPAC10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccc(-c3cccc4c5c(oc34)C=CCC5)cc2-c2c(N(c3ccc(-c4ccccc4)cc3)C3C=c4ccccc4=CC3)ccc3cccc1c23
InChIInChI=1S/C53H41NO/c1-53(2)46-30-25-39(42-18-11-19-44-43-17-8-9-21-49(43)55-52(42)44)33-45(46)51-48(31-26-37-16-10-20-47(53)50(37)51)54(41-29-24-35-14-6-7-15-38(35)32-41)40-27-22-36(23-28-40)34-12-4-3-5-13-34/h3-7,9-16,18-28,30-33,41H,8,17,29H2,1-2H3
InChIKeyDVGYJAKSDZQEGJ-UHFFFAOYSA-N
MW707.92 g/mol
LogP12.36
Rot. Bonds5

About 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine

10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine (PubChem CID 167232450) has the molecular formula C53H41NO and a molecular weight of 707.92 g/mol. Its IUPAC name is 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine.

Molecular Properties

Compound Name10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
PubChem CID167232450
Molecular FormulaC53H41NO
Molecular Weight707.92 g/mol
Exact Mass707.32
IUPAC Name10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccc(-c3cccc4c5c(oc34)C=CCC5)cc2-c2c(N(c3ccc(-c4ccccc4)cc3)C3C=c4ccccc4=CC3)ccc3cccc1c23
InChIInChI=1S/C53H41NO/c1-53(2)46-30-25-39(42-18-11-19-44-43-17-8-9-21-49(43)55-52(42)44)33-45(46)51-48(31-26-37-16-10-20-47(53)50(37)51)54(41-29-24-35-14-6-7-15-38(35)32-41)40-27-22-36(23-28-40)34-12-4-3-5-13-34/h3-7,9-16,18-28,30-33,41H,8,17,29H2,1-2H3
InChIKeyDVGYJAKSDZQEGJ-UHFFFAOYSA-N
XLogP12.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
CID 170092461
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
7,7-dimethyl-N,10-diphenyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232212
24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene
CID 163753654
11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-N-diphenyl-11-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,11-diamine
CID 170258389
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544887
2-(7,7-dimethyl-3,4-dihydrofluoreno[4,3-b][1]benzofuran-5-yl)-4,6-diphenylpyrimidine
CID 163556619
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine
CID 89086171

Frequently Asked Questions

What is the IUPAC name of 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The IUPAC name of 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine (CID 167232450) is 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine.
What is the SMILES notation for 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The canonical SMILES for 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine is CC1(C)c2ccc(-c3cccc4c5c(oc34)C=CCC5)cc2-c2c(N(c3ccc(-c4ccccc4)cc3)C3C=c4ccccc4=CC3)ccc3cccc1c23.
What is the InChIKey of 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
The InChIKey is DVGYJAKSDZQEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NO/c1-53(2)46-30-25-39(42-18-11-19-44-43-17-8-9-21-49(43)55-52(42)44)33-45(46)51-48(31-26-37-16-10-20-47(53)50(37)51)54(41-29-24-35-14-6-7-15-38(35)32-41)40-27-22-36(23-28-40)34-12-4-3-5-13-34/h3-7,9-16,18-28,30-33,41H,8,17,29H2,1-2H3.
What are the key properties of 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine?
10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine has a molecular weight of 707.92 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).