N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine

C46H28N2O2 — CID 170033851

IUPACN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C46H28N2O2/c1-2-11-30(12-3-1)48-38-16-7-4-13-34(38)35-25-23-32(28-40(35)48)47(39-17-10-20-43-46(39)37-15-6-9-19-42(37)49-43)31-22-24-33-29(27-31)21-26-44-45(33)36-14-5-8-18-41(36)50-44/h1-28H
InChIKeyDDUNZPGCIUFVCW-UHFFFAOYSA-N
MW640.74 g/mol
LogP13.21
Rot. Bonds4

About N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine

N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine (PubChem CID 170033851) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
PubChem CID170033851
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC NameN-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C46H28N2O2/c1-2-11-30(12-3-1)48-38-16-7-4-13-34(38)35-25-23-32(28-40(35)48)47(39-17-10-20-43-46(39)37-15-6-9-19-42(37)49-43)31-22-24-33-29(27-31)21-26-44-45(33)36-14-5-8-18-41(36)50-44/h1-28H
InChIKeyDDUNZPGCIUFVCW-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

N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 168814654
7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine (CID 170033851) is N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The InChIKey is DDUNZPGCIUFVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-2-11-30(12-3-1)48-38-16-7-4-13-34(38)35-25-23-32(28-40(35)48)47(39-17-10-20-43-46(39)37-15-6-9-19-42(37)49-43)31-22-24-33-29(27-31)21-26-44-45(33)36-14-5-8-18-41(36)50-44/h1-28H.
What are the key properties of N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-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-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170033851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).