N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine

C42H26N2O3 — CID 126629766

IUPACN-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine
SMILESc1ccc2c(c1)Oc1ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc1O2
InChIInChI=1S/C42H26N2O3/c1-4-12-35-31(9-1)32-10-2-5-13-36(32)44(35)28-19-17-27(18-20-28)43(29-21-23-34-33-11-3-6-14-37(33)45-41(34)25-29)30-22-24-40-42(26-30)47-39-16-8-7-15-38(39)46-40/h1-26H
InChIKeyWDZBNTNXDCDMNO-UHFFFAOYSA-N
MW606.68 g/mol
LogP12.05
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine

N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine (PubChem CID 126629766) has the molecular formula C42H26N2O3 and a molecular weight of 606.68 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine
PubChem CID126629766
Molecular FormulaC42H26N2O3
Molecular Weight606.68 g/mol
Exact Mass606.19
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine
SMILESc1ccc2c(c1)Oc1ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc1O2
InChIInChI=1S/C42H26N2O3/c1-4-12-35-31(9-1)32-10-2-5-13-36(32)44(35)28-19-17-27(18-20-28)43(29-21-23-34-33-11-3-6-14-37(33)45-41(34)25-29)30-22-24-40-42(26-30)47-39-16-8-7-15-38(39)46-40/h1-26H
InChIKeyWDZBNTNXDCDMNO-UHFFFAOYSA-N
XLogP12.05
TPSA39.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
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
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
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-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582562

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine (CID 126629766) is N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine is c1ccc2c(c1)Oc1ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)oc3ccccc34)cc1O2.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine?
The InChIKey is WDZBNTNXDCDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O3/c1-4-12-35-31(9-1)32-10-2-5-13-36(32)44(35)28-19-17-27(18-20-28)43(29-21-23-34-33-11-3-6-14-37(33)45-41(34)25-29)30-22-24-40-42(26-30)47-39-16-8-7-15-38(39)46-40/h1-26H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine?
N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine has a molecular weight of 606.68 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine is sourced from PubChem (CID 126629766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).