N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

C46H36BrNO — CID 177067483

IUPACN-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC(C)(C)c1cc(Br)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cc(-c3ccccc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C46H36BrNO/c1-46(2,3)35-27-36(47)29-38(28-35)48(37-25-23-32(24-26-37)31-15-7-4-8-16-31)44-40(33-17-9-5-10-18-33)30-41(34-19-11-6-12-20-34)45-43(44)39-21-13-14-22-42(39)49-45/h4-30H,1-3H3
InChIKeyTYRCPNGFHXEXAT-UHFFFAOYSA-N
MW698.70 g/mol
LogP14.12
Rot. Bonds6

About N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 177067483) has the molecular formula C46H36BrNO and a molecular weight of 698.70 g/mol. Its IUPAC name is N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID177067483
Molecular FormulaC46H36BrNO
Molecular Weight698.70 g/mol
Exact Mass697.20
IUPAC NameN-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC(C)(C)c1cc(Br)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cc(-c3ccccc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C46H36BrNO/c1-46(2,3)35-27-36(47)29-38(28-35)48(37-25-23-32(24-26-37)31-15-7-4-8-16-31)44-40(33-17-9-5-10-18-33)30-41(34-19-11-6-12-20-34)45-43(44)39-21-13-14-22-42(39)49-45/h4-30H,1-3H3
InChIKeyTYRCPNGFHXEXAT-UHFFFAOYSA-N
XLogP14.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.70
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-tert-butylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-2,6-diphenylaniline
CID 171607316
N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline
CID 170413315
7-phenyl-N,N-bis(4-phenylphenyl)-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-5-amine
CID 170536147
N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142750812
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
3-bromo-5-tert-butyl-N,N-diphenylaniline
CID 164760129
6-phenyl-N,N-bis(4-phenylphenyl)-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 170535880
N-[4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157330608
N-(4-phenylphenyl)-N-(2,4,6-triphenylphenyl)dibenzofuran-3-amine
CID 121287876
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 169280437
4-phenyl-N-(4-phenylphenyl)-N-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)phenyl]aniline
CID 138650794
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 177067483) is N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is CC(C)(C)c1cc(Br)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cc(-c3ccccc3)c3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is TYRCPNGFHXEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36BrNO/c1-46(2,3)35-27-36(47)29-38(28-35)48(37-25-23-32(24-26-37)31-15-7-4-8-16-31)44-40(33-17-9-5-10-18-33)30-41(34-19-11-6-12-20-34)45-43(44)39-21-13-14-22-42(39)49-45/h4-30H,1-3H3.
What are the key properties of N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 698.70 g/mol, XLogP of 14.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177067483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).