N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine

C46H28N2O2 — CID 168809194

IUPACN-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)cc2c1
InChIInChI=1S/C46H28N2O2/c1-2-12-33-29(11-1)25-32(48-40-17-7-3-13-34(40)35-14-4-8-18-41(35)48)28-42(33)47(30-21-23-45-38(26-30)36-15-5-9-19-43(36)49-45)31-22-24-46-39(27-31)37-16-6-10-20-44(37)50-46/h1-28H
InChIKeyXVRHEXXVKQQFJP-UHFFFAOYSA-N
MW640.74 g/mol
LogP13.21
Rot. Bonds4

About N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine

N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine (PubChem CID 168809194) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine
PubChem CID168809194
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC NameN-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)cc2c1
InChIInChI=1S/C46H28N2O2/c1-2-12-33-29(11-1)25-32(48-40-17-7-3-13-34(40)35-14-4-8-18-41(35)48)28-42(33)47(30-21-23-45-38(26-30)36-15-5-9-19-43(36)49-45)31-22-24-46-39(27-31)37-16-6-10-20-44(37)50-46/h1-28H
InChIKeyXVRHEXXVKQQFJP-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-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 168809159
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-naphtho[2,3-b][1]benzofuran-2-yl-9-phenyl-N-(3-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163412260
N-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 118462718
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510838
N-dibenzofuran-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357236
N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
CID 167183111
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
N-dibenzofuran-2-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357231
N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine
CID 71038542
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine?
The IUPAC name of N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine (CID 168809194) is N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine?
The canonical SMILES for N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine is c1ccc2c(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4ccccc43)cc2c1.
What is the InChIKey of N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine?
The InChIKey is XVRHEXXVKQQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-2-12-33-29(11-1)25-32(48-40-17-7-3-13-34(40)35-14-4-8-18-41(35)48)28-42(33)47(30-21-23-45-38(26-30)36-15-5-9-19-43(36)49-45)31-22-24-46-39(27-31)37-16-6-10-20-44(37)50-46/h1-28H.
What are the key properties of N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine?
N-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-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-(3-carbazol-9-ylnaphthalen-1-yl)-N-dibenzofuran-2-yldibenzofuran-2-amine is sourced from PubChem (CID 168809194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).