N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine

C46H34N2O2 — CID 140711457

IUPACN-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C46H34N2O2/c1-46(2,3)48-40-17-9-5-13-33(40)36-26-29(20-23-41(36)48)32-12-4-8-16-39(32)47(30-21-24-44-37(27-30)34-14-6-10-18-42(34)49-44)31-22-25-45-38(28-31)35-15-7-11-19-43(35)50-45/h4-28H,1-3H3
InChIKeyBIONDGBWANCJAT-UHFFFAOYSA-N
MW646.79 g/mol
LogP13.49
Rot. Bonds4

About N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine

N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine (PubChem CID 140711457) has the molecular formula C46H34N2O2 and a molecular weight of 646.79 g/mol. Its IUPAC name is N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine
PubChem CID140711457
Molecular FormulaC46H34N2O2
Molecular Weight646.79 g/mol
Exact Mass646.26
IUPAC NameN-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine
SMILESCC(C)(C)n1c2ccccc2c2cc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C46H34N2O2/c1-46(2,3)48-40-17-9-5-13-33(40)36-26-29(20-23-41(36)48)32-12-4-8-16-39(32)47(30-21-24-44-37(27-30)34-14-6-10-18-42(34)49-44)31-22-25-45-38(28-31)35-15-7-11-19-43(35)50-45/h4-28H,1-3H3
InChIKeyBIONDGBWANCJAT-UHFFFAOYSA-N
XLogP13.49
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine
CID 121323324
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979
bis(N-dibenzofuran-1-yl-N-dibenzofuran-2-yl-9-(4-methylphenyl)carbazol-3-amine);N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine;N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(2-phenylphenyl)carbazol-3-amine
CID 161064899
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
2-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324670
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325530
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-[4-(7-phenylbenzo[c]carbazol-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166847555
N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 167325549

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine?
The IUPAC name of N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine (CID 140711457) is N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine?
The canonical SMILES for N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine is CC(C)(C)n1c2ccccc2c2cc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine?
The InChIKey is BIONDGBWANCJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O2/c1-46(2,3)48-40-17-9-5-13-33(40)36-26-29(20-23-41(36)48)32-12-4-8-16-39(32)47(30-21-24-44-37(27-30)34-14-6-10-18-42(34)49-44)31-22-25-45-38(28-31)35-15-7-11-19-43(35)50-45/h4-28H,1-3H3.
What are the key properties of N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine?
N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine has a molecular weight of 646.79 g/mol, XLogP of 13.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-tert-butylcarbazol-3-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-2-amine is sourced from PubChem (CID 140711457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).