19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C55H35N3O — CID 166702748

IUPAC19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESCC1C=Cc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)cc6c6ccccc6c54)nc4ccccc34)ccc2C1
InChIInChI=1S/C55H35N3O/c1-32-22-23-34-29-36(25-24-33(34)28-32)53-42-17-6-9-19-47(42)56-55(57-53)58-48-20-10-7-18-43(48)52-51-40-15-4-2-12-37(40)44(31-46(51)38-13-3-5-16-41(38)54(52)58)35-26-27-50-45(30-35)39-14-8-11-21-49(39)59-50/h2-27,29-32H,28H2,1H3
InChIKeyZXUSYBOKMKTHDB-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.63
Rot. Bonds3

About 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 166702748) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
PubChem CID166702748
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
SMILESCC1C=Cc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)cc6c6ccccc6c54)nc4ccccc34)ccc2C1
InChIInChI=1S/C55H35N3O/c1-32-22-23-34-29-36(25-24-33(34)28-32)53-42-17-6-9-19-47(42)56-55(57-53)58-48-20-10-7-18-43(48)52-51-40-15-4-2-12-37(40)44(31-46(51)38-13-3-5-16-41(38)54(52)58)35-26-27-50-45(30-35)39-14-8-11-21-49(39)59-50/h2-27,29-32H,28H2,1H3
InChIKeyZXUSYBOKMKTHDB-UHFFFAOYSA-N
XLogP14.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

25-(4-dibenzofuran-2-ylquinazolin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235598
18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672656
5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
CID 134353213
9-dibenzofuran-2-yl-19-(4-phenylquinazolin-2-yl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 140913947
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
19-dibenzofuran-2-yl-9-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163206
9-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369955
18-(9-methyldibenzofuran-2-yl)-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 139421573
5-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-dibenzothiophen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-phenyl-5-[9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazol-2-yl]benzo[a]carbazole
CID 162105305
14-(4-dibenzofuran-2-ylquinazolin-2-yl)-4,5-diphenyl-3,5,14-triazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),3,7,9,11,15,17,19-nonaene
CID 164589197
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-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 126679092

Frequently Asked Questions

What is the IUPAC name of 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 166702748) is 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is CC1C=Cc2cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c(-c7ccc8oc9ccccc9c8c7)cc6c6ccccc6c54)nc4ccccc34)ccc2C1.
What is the InChIKey of 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
The InChIKey is ZXUSYBOKMKTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-32-22-23-34-29-36(25-24-33(34)28-32)53-42-17-6-9-19-47(42)56-55(57-53)58-48-20-10-7-18-43(48)52-51-40-15-4-2-12-37(40)44(31-46(51)38-13-3-5-16-41(38)54(52)58)35-26-27-50-45(30-35)39-14-8-11-21-49(39)59-50/h2-27,29-32H,28H2,1H3.
What are the key properties of 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?
19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 753.91 g/mol, XLogP of 14.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-dibenzofuran-2-yl-9-[4-(6-methyl-5,6-dihydronaphthalen-2-yl)quinazolin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 166702748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).