N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine

C54H37NO — CID 174273303

IUPACN-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
SMILESC1=Cc2c(cccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cc2)CC1
InChIInChI=1S/C54H37NO/c1-2-13-42-34-45(31-26-36(42)10-1)55(44-29-24-38(25-30-44)37-20-22-41(23-21-37)47-18-9-14-39-11-3-5-15-46(39)47)52-19-8-7-16-48(52)43-28-33-53-51(35-43)50-32-27-40-12-4-6-17-49(40)54(50)56-53/h1-2,4-10,12-35H,3,11H2
InChIKeyPNMNVUNKQZLBCN-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.32
Rot. Bonds6

About N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine

N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine (PubChem CID 174273303) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
PubChem CID174273303
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
SMILESC1=Cc2c(cccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cc2)CC1
InChIInChI=1S/C54H37NO/c1-2-13-42-34-45(31-26-36(42)10-1)55(44-29-24-38(25-30-44)37-20-22-41(23-21-37)47-18-9-14-39-11-3-5-15-46(39)47)52-19-8-7-16-48(52)43-28-33-53-51(35-43)50-32-27-40-12-4-6-17-49(40)54(50)56-53/h1-2,4-10,12-35H,3,11H2
InChIKeyPNMNVUNKQZLBCN-UHFFFAOYSA-N
XLogP15.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374491
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-[4-(3,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174272400
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326166

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine (CID 174273303) is N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine is C1=Cc2c(cccc2-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine?
The InChIKey is PNMNVUNKQZLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-2-13-42-34-45(31-26-36(42)10-1)55(44-29-24-38(25-30-44)37-20-22-41(23-21-37)47-18-9-14-39-11-3-5-15-46(39)47)52-19-8-7-16-48(52)43-28-33-53-51(35-43)50-32-27-40-12-4-6-17-49(40)54(50)56-53/h1-2,4-10,12-35H,3,11H2.
What are the key properties of N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine?
N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine has a molecular weight of 715.90 g/mol, XLogP of 15.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 174273303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).