1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine

C37H26N2O2 — CID 167454259

IUPAC1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine
SMILESNc1ccc2oc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C37H26N2O2/c38-31-19-21-35-36(29-11-5-7-13-34(29)41-35)37(31)40-23-24-14-17-27(18-15-24)39-32-12-6-4-10-28(32)30-22-26(16-20-33(30)39)25-8-2-1-3-9-25/h1-22H,23,38H2
InChIKeyZGAPDFMAAYYGDP-UHFFFAOYSA-N
MW530.63 g/mol
LogP9.51
Rot. Bonds5

About 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine

1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine (PubChem CID 167454259) has the molecular formula C37H26N2O2 and a molecular weight of 530.63 g/mol. Its IUPAC name is 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine.

Molecular Properties

Compound Name1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine
PubChem CID167454259
Molecular FormulaC37H26N2O2
Molecular Weight530.63 g/mol
Exact Mass530.20
IUPAC Name1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine
SMILESNc1ccc2oc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C37H26N2O2/c38-31-19-21-35-36(29-11-5-7-13-34(29)41-35)37(31)40-23-24-14-17-27(18-15-24)39-32-12-6-4-10-28(32)30-22-26(16-20-33(30)39)25-8-2-1-3-9-25/h1-22H,23,38H2
InChIKeyZGAPDFMAAYYGDP-UHFFFAOYSA-N
XLogP9.51
TPSA53.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine?
The IUPAC name of 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine (CID 167454259) is 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine.
What is the SMILES notation for 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine?
The canonical SMILES for 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine is Nc1ccc2oc3ccccc3c2c1OCc1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine?
The InChIKey is ZGAPDFMAAYYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O2/c38-31-19-21-35-36(29-11-5-7-13-34(29)41-35)37(31)40-23-24-14-17-27(18-15-24)39-32-12-6-4-10-28(32)30-22-26(16-20-33(30)39)25-8-2-1-3-9-25/h1-22H,23,38H2.
What are the key properties of 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine?
1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine has a molecular weight of 530.63 g/mol, XLogP of 9.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-phenylcarbazol-9-yl)phenyl]methoxy]dibenzofuran-2-amine is sourced from PubChem (CID 167454259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).