5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C52H29N3O — CID 134301057

IUPAC5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4c5cccc6c5c(cc43)-c3ccccc3-6)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C52H29N3O/c1-2-12-31(13-3-1)51-50-34-14-5-4-11-30(34)21-24-43(50)53-52(54-51)55-44-25-22-32(33-23-26-47-40(27-33)37-17-8-9-20-46(37)56-47)28-42(44)49-39-19-10-18-38-35-15-6-7-16-36(35)41(48(38)39)29-45(49)55/h1-29H
InChIKeyVJMVKUCWSTXCCR-UHFFFAOYSA-N
MW711.82 g/mol
LogP13.91
Rot. Bonds3

About 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 134301057) has the molecular formula C52H29N3O and a molecular weight of 711.82 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
PubChem CID134301057
Molecular FormulaC52H29N3O
Molecular Weight711.82 g/mol
Exact Mass711.23
IUPAC Name5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4c5cccc6c5c(cc43)-c3ccccc3-6)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C52H29N3O/c1-2-12-31(13-3-1)51-50-34-14-5-4-11-30(34)21-24-43(50)53-52(54-51)55-44-25-22-32(33-23-26-47-40(27-33)37-17-8-9-20-46(37)56-47)28-42(44)49-39-19-10-18-38-35-15-6-7-16-36(35)41(48(38)39)29-45(49)55/h1-29H
InChIKeyVJMVKUCWSTXCCR-UHFFFAOYSA-N
XLogP13.91
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.82
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-dibenzofuran-2-yl-9-[1-(4-phenylphenyl)benzo[f]quinazolin-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301058
9-phenyl-5-[9-(1-phenylbenzo[f]quinazolin-3-yl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301130
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-dibenzothiophen-2-yl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300954
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
13-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-13-azaheptacyclo[14.10.1.02,14.03,12.04,9.017,22.023,27]heptacosa-1(27),2(14),3(12),4,6,8,10,15,17,19,21,23,25-tridecaene
CID 134398898
12-(4-dibenzofuran-2-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149691
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149709
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The IUPAC name of 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 134301057) is 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The canonical SMILES for 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is c1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4c5cccc6c5c(cc43)-c3ccccc3-6)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
The InChIKey is VJMVKUCWSTXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O/c1-2-12-31(13-3-1)51-50-34-14-5-4-11-30(34)21-24-43(50)53-52(54-51)55-44-25-22-32(33-23-26-47-40(27-33)37-17-8-9-20-46(37)56-47)28-42(44)49-39-19-10-18-38-35-15-6-7-16-36(35)41(48(38)39)29-45(49)55/h1-29H.
What are the key properties of 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?
5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 711.82 g/mol, XLogP of 13.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-9-(1-phenylbenzo[f]quinazolin-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 134301057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).