6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

C40H23NO — CID 145347631

IUPAC6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-n2c3cc(-c4cccc5c4oc4ccccc45)ccc3c3c4ccc5cccc6ccc(cc32)c4c65)cc1
InChIInChI=1S/C40H23NO/c1-2-10-28(11-3-1)41-34-22-26(29-13-7-14-31-30-12-4-5-15-36(30)42-40(29)31)19-20-32(34)39-33-21-18-25-9-6-8-24-16-17-27(23-35(39)41)38(33)37(24)25/h1-23H
InChIKeyKGINUCSKEVBURB-UHFFFAOYSA-N
MW533.63 g/mol
LogP11.25
Rot. Bonds2

About 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (PubChem CID 145347631) has the molecular formula C40H23NO and a molecular weight of 533.63 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
PubChem CID145347631
Molecular FormulaC40H23NO
Molecular Weight533.63 g/mol
Exact Mass533.18
IUPAC Name6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-n2c3cc(-c4cccc5c4oc4ccccc45)ccc3c3c4ccc5cccc6ccc(cc32)c4c65)cc1
InChIInChI=1S/C40H23NO/c1-2-10-28(11-3-1)41-34-22-26(29-13-7-14-31-30-12-4-5-15-36(30)42-40(29)31)19-20-32(34)39-33-21-18-25-9-6-8-24-16-17-27(23-35(39)41)38(33)37(24)25/h1-23H
InChIKeyKGINUCSKEVBURB-UHFFFAOYSA-N
XLogP11.25
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-3-amine
CID 139571792
19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428489
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501
2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342631
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (CID 145347631) is 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is c1ccc(-n2c3cc(-c4cccc5c4oc4ccccc45)ccc3c3c4ccc5cccc6ccc(cc32)c4c65)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
The InChIKey is KGINUCSKEVBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NO/c1-2-10-28(11-3-1)41-34-22-26(29-13-7-14-31-30-12-4-5-15-36(30)42-40(29)31)19-20-32(34)39-33-21-18-25-9-6-8-24-16-17-27(23-35(39)41)38(33)37(24)25/h1-23H.
What are the key properties of 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene has a molecular weight of 533.63 g/mol, XLogP of 11.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 145347631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).