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

C58H33N3O — CID 134301058

IUPAC5-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
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5c6cccc7c6c(cc54)-c4ccccc4-7)nc4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H33N3O/c1-2-11-34(12-3-1)35-21-23-37(24-22-35)57-56-40-14-5-4-13-36(40)25-28-49(56)59-58(60-57)61-50-29-26-38(39-27-30-53-46(31-39)43-17-8-9-20-52(43)62-53)32-48(50)55-45-19-10-18-44-41-15-6-7-16-42(41)47(54(44)45)33-51(55)61/h1-33H
InChIKeyDOQQZEOJPYZOIK-UHFFFAOYSA-N
MW787.92 g/mol
LogP15.58
Rot. Bonds4

About 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

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 (PubChem CID 134301058) has the molecular formula C58H33N3O and a molecular weight of 787.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID134301058
Molecular FormulaC58H33N3O
Molecular Weight787.92 g/mol
Exact Mass787.26
IUPAC Name5-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
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5c6cccc7c6c(cc54)-c4ccccc4-7)nc4ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H33N3O/c1-2-11-34(12-3-1)35-21-23-37(24-22-35)57-56-40-14-5-4-13-36(40)25-28-49(56)59-58(60-57)61-50-29-26-38(39-27-30-53-46(31-39)43-17-8-9-20-52(43)62-53)32-48(50)55-45-19-10-18-44-41-15-6-7-16-42(41)47(54(44)45)33-51(55)61/h1-33H
InChIKeyDOQQZEOJPYZOIK-UHFFFAOYSA-N
XLogP15.58
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.92
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
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
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
3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
CID 147334137
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5c6cccc7c6c(cc54)-c4ccccc4-7)nc4ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DOQQZEOJPYZOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N3O/c1-2-11-34(12-3-1)35-21-23-37(24-22-35)57-56-40-14-5-4-13-36(40)25-28-49(56)59-58(60-57)61-50-29-26-38(39-27-30-53-46(31-39)43-17-8-9-20-52(43)62-53)32-48(50)55-45-19-10-18-44-41-15-6-7-16-42(41)47(54(44)45)33-51(55)61/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 787.92 g/mol, XLogP of 15.58, 4 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-(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 is sourced from PubChem (CID 134301058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).