N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine

C51H37NO — CID 170301164

IUPACN-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine
SMILESCC12C=CC=CC1C=C(N(c1cccc(-c3ccc4c(c3)oc3ccccc34)c1)c1ccccc1-c1cccc3cccc(-c4ccccc4)c13)C=C2
InChIInChI=1S/C51H37NO/c1-51-30-10-9-19-39(51)34-41(29-31-51)52(40-20-11-18-37(32-40)38-27-28-45-44-22-6-8-26-48(44)53-49(45)33-38)47-25-7-5-21-43(47)46-24-13-17-36-16-12-23-42(50(36)46)35-14-3-2-4-15-35/h2-34,39H,1H3
InChIKeyRMAXOIJUBIMFDO-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.08
Rot. Bonds6

About N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine

N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine (PubChem CID 170301164) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine
PubChem CID170301164
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine
SMILESCC12C=CC=CC1C=C(N(c1cccc(-c3ccc4c(c3)oc3ccccc34)c1)c1ccccc1-c1cccc3cccc(-c4ccccc4)c13)C=C2
InChIInChI=1S/C51H37NO/c1-51-30-10-9-19-39(51)34-41(29-31-51)52(40-20-11-18-37(32-40)38-27-28-45-44-22-6-8-26-48(44)53-49(45)33-38)47-25-7-5-21-43(47)46-24-13-17-36-16-12-23-42(50(36)46)35-14-3-2-4-15-35/h2-34,39H,1H3
InChIKeyRMAXOIJUBIMFDO-UHFFFAOYSA-N
XLogP14.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294769
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300509
N-[3-(9a-methyl-5aH-dibenzofuran-1-yl)phenyl]-2-dibenzofuran-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170300309
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301545
N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
N-(3-dibenzofuran-2-ylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170301489
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170294640
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301232
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine (CID 170301164) is N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine is CC12C=CC=CC1C=C(N(c1cccc(-c3ccc4c(c3)oc3ccccc34)c1)c1ccccc1-c1cccc3cccc(-c4ccccc4)c13)C=C2.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine?
The InChIKey is RMAXOIJUBIMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51-30-10-9-19-39(51)34-41(29-31-51)52(40-20-11-18-37(32-40)38-27-28-45-44-22-6-8-26-48(44)53-49(45)33-38)47-25-7-5-21-43(47)46-24-13-17-36-16-12-23-42(50(36)46)35-14-3-2-4-15-35/h2-34,39H,1H3.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine?
N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine has a molecular weight of 679.86 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-4a-methyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-8aH-naphthalen-2-amine is sourced from PubChem (CID 170301164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).