8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine

C46H41NO — CID 168802218

IUPAC8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H41NO/c1-45(2,3)32-19-22-34(23-20-32)47(35-24-25-38-40-28-33(46(4,5)6)21-27-42(40)48-43(38)29-35)41-26-18-31-13-8-10-16-37(31)44(41)39-17-11-14-30-12-7-9-15-36(30)39/h7-29H,1-6H3
InChIKeyCVEKNEQYHMXNOP-UHFFFAOYSA-N
MW623.84 g/mol
LogP13.62
Rot. Bonds4

About 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine

8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine (PubChem CID 168802218) has the molecular formula C46H41NO and a molecular weight of 623.84 g/mol. Its IUPAC name is 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
PubChem CID168802218
Molecular FormulaC46H41NO
Molecular Weight623.84 g/mol
Exact Mass623.32
IUPAC Name8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H41NO/c1-45(2,3)32-19-22-34(23-20-32)47(35-24-25-38-40-28-33(46(4,5)6)21-27-42(40)48-43(38)29-35)41-26-18-31-13-8-10-16-37(31)44(41)39-17-11-14-30-12-7-9-15-36(30)39/h7-29H,1-6H3
InChIKeyCVEKNEQYHMXNOP-UHFFFAOYSA-N
XLogP13.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)
CID 165020534
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 146666105
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168801937
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 168802070
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802469
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168802092
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-bis(1-phenyldibenzofuran-2-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 171728710
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzofuran-3-yl)-4-methylnaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574656
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine?
The IUPAC name of 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine (CID 168802218) is 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2ccc(C(C)(C)C)cc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine?
The InChIKey is CVEKNEQYHMXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41NO/c1-45(2,3)32-19-22-34(23-20-32)47(35-24-25-38-40-28-33(46(4,5)6)21-27-42(40)48-43(38)29-35)41-26-18-31-13-8-10-16-37(31)44(41)39-17-11-14-30-12-7-9-15-36(30)39/h7-29H,1-6H3.
What are the key properties of 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine?
8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine has a molecular weight of 623.84 g/mol, XLogP of 13.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 168802218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).