2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline

C30H20N2O — CID 139539216

IUPAC2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline
SMILESNc1ccccc1-c1cccc2c3c4oc5ccccc5c4ccc3n(-c3ccccc3)c12
InChIInChI=1S/C30H20N2O/c31-25-15-6-4-11-20(25)22-13-8-14-24-28-26(32(29(22)24)19-9-2-1-3-10-19)18-17-23-21-12-5-7-16-27(21)33-30(23)28/h1-18H,31H2
InChIKeyVSZZTLQPPMEFDP-UHFFFAOYSA-N
MW424.50 g/mol
LogP7.93
Rot. Bonds2

About 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline

2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline (PubChem CID 139539216) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline.

Molecular Properties

Compound Name2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline
PubChem CID139539216
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline
SMILESNc1ccccc1-c1cccc2c3c4oc5ccccc5c4ccc3n(-c3ccccc3)c12
InChIInChI=1S/C30H20N2O/c31-25-15-6-4-11-20(25)22-13-8-14-24-28-26(32(29(22)24)19-9-2-1-3-10-19)18-17-23-21-12-5-7-16-27(21)33-30(23)28/h1-18H,31H2
InChIKeyVSZZTLQPPMEFDP-UHFFFAOYSA-N
XLogP7.93
TPSA44.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957626
2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline
CID 138712154
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
[3-dibenzofuran-4-yl-4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)phenyl]-triphenylsilane
CID 172534601
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
26-phenyl-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-amine
CID 147310301
15-dibenzofuran-4-yl-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(3-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160912850
15-phenanthren-9-yl-18-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679019
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline?
The IUPAC name of 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline (CID 139539216) is 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline.
What is the SMILES notation for 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline?
The canonical SMILES for 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline is Nc1ccccc1-c1cccc2c3c4oc5ccccc5c4ccc3n(-c3ccccc3)c12.
What is the InChIKey of 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline?
The InChIKey is VSZZTLQPPMEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c31-25-15-6-4-11-20(25)22-13-8-14-24-28-26(32(29(22)24)19-9-2-1-3-10-19)18-17-23-21-12-5-7-16-27(21)33-30(23)28/h1-18H,31H2.
What are the key properties of 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline?
2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline has a molecular weight of 424.50 g/mol, XLogP of 7.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline is sourced from PubChem (CID 139539216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).