2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine

C39H37NO — CID 149470846

IUPAC2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESCC1(C)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C39H37NO/c1-37(2)32-22-21-26(24-33(32)38(3,4)39(37,5)6)27-23-31-30-19-13-14-20-35(30)41-36(31)34(25-27)40(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-25H,1-6H3
InChIKeyZBIDQFXWESOEHA-UHFFFAOYSA-N
MW535.73 g/mol
LogP11.32
Rot. Bonds4

About 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine

2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 149470846) has the molecular formula C39H37NO and a molecular weight of 535.73 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID149470846
Molecular FormulaC39H37NO
Molecular Weight535.73 g/mol
Exact Mass535.29
IUPAC Name2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESCC1(C)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C39H37NO/c1-37(2)32-22-21-26(24-33(32)38(3,4)39(37,5)6)27-23-31-30-19-13-14-20-35(30)41-36(31)34(25-27)40(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-25H,1-6H3
InChIKeyZBIDQFXWESOEHA-UHFFFAOYSA-N
XLogP11.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 154592854
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 148775641
N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine
CID 154592939
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536283
N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
CID 163587007
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine (CID 149470846) is 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine is CC1(C)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is ZBIDQFXWESOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37NO/c1-37(2)32-22-21-26(24-33(32)38(3,4)39(37,5)6)27-23-31-30-19-13-14-20-35(30)41-36(31)34(25-27)40(28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-25H,1-6H3.
What are the key properties of 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine?
2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 535.73 g/mol, XLogP of 11.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 149470846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).