N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine

C42H26N2OSe — CID 159956564

IUPACN-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)[se]c4ccccc45)cc32)cc1
InChIInChI=1S/C42H26N2OSe/c1-2-10-27(11-3-1)44-37-15-7-4-12-31(37)32-21-18-28(24-38(32)44)43(29-19-22-34-33-13-5-8-16-39(33)45-40(34)25-29)30-20-23-36-35-14-6-9-17-41(35)46-42(36)26-30/h1-26H
InChIKeyUITKAOLPPWFQGO-UHFFFAOYSA-N
MW653.64 g/mol
LogP11.52
Rot. Bonds4

About N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine

N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine (PubChem CID 159956564) has the molecular formula C42H26N2OSe and a molecular weight of 653.64 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
PubChem CID159956564
Molecular FormulaC42H26N2OSe
Molecular Weight653.64 g/mol
Exact Mass654.12
IUPAC NameN-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)[se]c4ccccc45)cc32)cc1
InChIInChI=1S/C42H26N2OSe/c1-2-10-27(11-3-1)44-37-15-7-4-12-31(37)32-21-18-28(24-38(32)44)43(29-19-22-34-33-13-5-8-16-39(33)45-40(34)25-29)30-20-23-36-35-14-6-9-17-41(35)46-42(36)26-30/h1-26H
InChIKeyUITKAOLPPWFQGO-UHFFFAOYSA-N
XLogP11.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.64
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 158632127
N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764954
N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 158752012
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093
N-dibenzofuran-1-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-3-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-4-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764953
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
CID 167183111
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine (CID 159956564) is N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)[se]c4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine?
The InChIKey is UITKAOLPPWFQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2OSe/c1-2-10-27(11-3-1)44-37-15-7-4-12-31(37)32-21-18-28(24-38(32)44)43(29-19-22-34-33-13-5-8-16-39(33)45-40(34)25-29)30-20-23-36-35-14-6-9-17-41(35)46-42(36)26-30/h1-26H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine?
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine has a molecular weight of 653.64 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 159956564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).