N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine

C40H35NO — CID 176760069

IUPACN-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc(Nc2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C40H35NO/c1-25(2)33-11-7-12-34(26(3)4)39(33)28-17-19-31(20-18-28)41-32-21-22-37-36(24-32)40-35(13-8-14-38(40)42-37)30-16-15-27-9-5-6-10-29(27)23-30/h5-26,41H,1-4H3
InChIKeyAAVGRQJRDAMWLB-UHFFFAOYSA-N
MW545.73 g/mol
LogP12.06
Rot. Bonds6

About N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine

N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine (PubChem CID 176760069) has the molecular formula C40H35NO and a molecular weight of 545.73 g/mol. Its IUPAC name is N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine
PubChem CID176760069
Molecular FormulaC40H35NO
Molecular Weight545.73 g/mol
Exact Mass545.27
IUPAC NameN-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc(Nc2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C40H35NO/c1-25(2)33-11-7-12-34(26(3)4)39(33)28-17-19-31(20-18-28)41-32-21-22-37-36(24-32)40-35(13-8-14-38(40)42-37)30-16-15-27-9-5-6-10-29(27)23-30/h5-26,41H,1-4H3
InChIKeyAAVGRQJRDAMWLB-UHFFFAOYSA-N
XLogP12.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.73
LogP ≤ 512.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-3-yl-9-phenanthren-3-yldibenzofuran-2-amine
CID 169315832
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 118616145
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
N-[6-(1-benzofuran-2-yl)naphthalen-2-yl]dibenzofuran-2-amine
CID 162366598
8-naphthalen-2-yl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167406880
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine?
The IUPAC name of N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine (CID 176760069) is N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine?
The canonical SMILES for N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine is CC(C)c1cccc(C(C)C)c1-c1ccc(Nc2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.
What is the InChIKey of N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine?
The InChIKey is AAVGRQJRDAMWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35NO/c1-25(2)33-11-7-12-34(26(3)4)39(33)28-17-19-31(20-18-28)41-32-21-22-37-36(24-32)40-35(13-8-14-38(40)42-37)30-16-15-27-9-5-6-10-29(27)23-30/h5-26,41H,1-4H3.
What are the key properties of N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine?
N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine has a molecular weight of 545.73 g/mol, XLogP of 12.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-9-naphthalen-2-yldibenzofuran-2-amine is sourced from PubChem (CID 176760069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).