N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine

C46H28N2O2 — CID 163896520

IUPACN-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
SMILESc1ccc(-n2c3cc4ccccc4cc3c3c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C46H28N2O2/c1-2-14-31(15-3-1)47-38-19-11-20-39(45(38)37-26-29-12-4-5-13-30(29)27-41(37)47)48(32-24-25-35-33-16-6-8-22-42(33)49-44(35)28-32)40-21-10-18-36-34-17-7-9-23-43(34)50-46(36)40/h1-28H
InChIKeyQGCOZDANQZQBEB-UHFFFAOYSA-N
MW640.74 g/mol
LogP13.21
Rot. Bonds4

About N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine

N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine (PubChem CID 163896520) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
PubChem CID163896520
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC NameN-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
SMILESc1ccc(-n2c3cc4ccccc4cc3c3c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C46H28N2O2/c1-2-14-31(15-3-1)47-38-19-11-20-39(45(38)37-26-29-12-4-5-13-30(29)27-41(37)47)48(32-24-25-35-33-16-6-8-22-42(33)49-44(35)28-32)40-21-10-18-36-34-17-7-9-23-43(34)50-46(36)40/h1-28H
InChIKeyQGCOZDANQZQBEB-UHFFFAOYSA-N
XLogP13.21
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.74
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-3-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165100734
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 163557742
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
N-dibenzofuran-4-yl-6,8,9-triphenyl-N-(9-phenylcarbazol-2-yl)carbazol-4-amine
CID 177286504
N-dibenzofuran-4-yl-5-naphthalen-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009921
N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
CID 165048142
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549038
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine (CID 163896520) is N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine is c1ccc(-n2c3cc4ccccc4cc3c3c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4oc4ccccc45)cccc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine?
The InChIKey is QGCOZDANQZQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-2-14-31(15-3-1)47-38-19-11-20-39(45(38)37-26-29-12-4-5-13-30(29)27-41(37)47)48(32-24-25-35-33-16-6-8-22-42(33)49-44(35)28-32)40-21-10-18-36-34-17-7-9-23-43(34)50-46(36)40/h1-28H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine?
N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine has a molecular weight of 640.74 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine is sourced from PubChem (CID 163896520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).