N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine

C40H34BNO3 — CID 154697102

IUPACN-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine
SMILESCC1(C)OB(c2cccc3c2oc2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)cc23)OC1(C)C
InChIInChI=1S/C40H34BNO3/c1-39(2)40(3,4)45-41(44-39)36-16-10-15-34-35-26-33(23-24-37(35)43-38(34)36)42(32-22-19-28-13-8-9-14-30(28)25-32)31-20-17-29(18-21-31)27-11-6-5-7-12-27/h5-26H,1-4H3
InChIKeyUYPALTWNIKSOOZ-UHFFFAOYSA-N
MW587.53 g/mol
LogP10.18
Rot. Bonds5

About N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine (PubChem CID 154697102) has the molecular formula C40H34BNO3 and a molecular weight of 587.53 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine
PubChem CID154697102
Molecular FormulaC40H34BNO3
Molecular Weight587.53 g/mol
Exact Mass587.26
IUPAC NameN-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine
SMILESCC1(C)OB(c2cccc3c2oc2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)cc23)OC1(C)C
InChIInChI=1S/C40H34BNO3/c1-39(2)40(3,4)45-41(44-39)36-16-10-15-34-35-26-33(23-24-37(35)43-38(34)36)42(32-22-19-28-13-8-9-14-30(28)25-32)31-20-17-29(18-21-31)27-11-6-5-7-12-27/h5-26H,1-4H3
InChIKeyUYPALTWNIKSOOZ-UHFFFAOYSA-N
XLogP10.18
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.53
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-amine
CID 154697219
N-(4-phenylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 90305757
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804464
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
6-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022414
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)dibenzofuran-2-amine;N-[4-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 161366378
4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 123270176

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine (CID 154697102) is N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine is CC1(C)OB(c2cccc3c2oc2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)cc23)OC1(C)C.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine?
The InChIKey is UYPALTWNIKSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34BNO3/c1-39(2)40(3,4)45-41(44-39)36-16-10-15-34-35-26-33(23-24-37(35)43-38(34)36)42(32-22-19-28-13-8-9-14-30(28)25-32)31-20-17-29(18-21-31)27-11-6-5-7-12-27/h5-26H,1-4H3.
What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine?
N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine has a molecular weight of 587.53 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 154697102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).