9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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

C58H37N3O — CID 136955330

IUPAC9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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
SMILESc1ccc(-c2cccc(C3NC(c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8oc9ccccc9c78)cc65)cc4)=Nc4ccccc43)c2)cc1
InChIInChI=1S/C58H37N3O/c1-2-14-36(15-3-1)39-17-12-18-40(34-39)57-46-22-8-10-25-49(46)59-58(60-57)38-28-31-41(32-29-38)61-50-33-30-37-16-4-5-19-42(37)55(50)56-44-21-7-6-20-43(44)48(35-51(56)61)45-24-13-27-53-54(45)47-23-9-11-26-52(47)62-53/h1-35,57H,(H,59,60)
InChIKeyXZXYGCKOQLXQQY-UHFFFAOYSA-N
MW791.95 g/mol
LogP15.09
Rot. Bonds5

About 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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

9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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 (PubChem CID 136955330) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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.

Molecular Properties

Compound Name9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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
PubChem CID136955330
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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
SMILESc1ccc(-c2cccc(C3NC(c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8oc9ccccc9c78)cc65)cc4)=Nc4ccccc43)c2)cc1
InChIInChI=1S/C58H37N3O/c1-2-14-36(15-3-1)39-17-12-18-40(34-39)57-46-22-8-10-25-49(46)59-58(60-57)38-28-31-41(32-29-38)61-50-33-30-37-16-4-5-19-42(37)55(50)56-44-21-7-6-20-43(44)48(35-51(56)61)45-24-13-27-53-54(45)47-23-9-11-26-52(47)62-53/h1-35,57H,(H,59,60)
InChIKeyXZXYGCKOQLXQQY-UHFFFAOYSA-N
XLogP15.09
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 515.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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 with MolForge

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Related Compounds

12-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-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 166701946
3-phenyl-28-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 163591893
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
12-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-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 170253504
3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
CID 136631150
12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-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;12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9,15-diphenyl-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;12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenyl-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 163754953
12-[1-[2,4-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166700545
2-[3-[9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)carbazol-3-yl]phenyl]-4-phenyl-3,4-dihydrobenzo[h]quinazoline
CID 167167261
11-(3-dibenzofuran-1-ylphenyl)-16-phenyl-11,16-diazanonacyclo[17.10.1.02,17.03,15.04,12.05,10.06,28.023,30.024,29]triaconta-1(30),2(17),3(15),4(12),5,7,9,13,18,20,22,24,26,28-tetradecaene
CID 163553572
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
12-[9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-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 146491103
9-phenyl-12-[4-(5-phenyl-5,6-dihydrobenzo[a]anthracen-3-yl)phenyl]-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 154982211

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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?
The IUPAC name of 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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 136955330) is 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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.
What is the SMILES notation for 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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?
The canonical SMILES for 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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 is c1ccc(-c2cccc(C3NC(c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8oc9ccccc9c78)cc65)cc4)=Nc4ccccc43)c2)cc1.
What is the InChIKey of 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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?
The InChIKey is XZXYGCKOQLXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-2-14-36(15-3-1)39-17-12-18-40(34-39)57-46-22-8-10-25-49(46)59-58(60-57)38-28-31-41(32-29-38)61-50-33-30-37-16-4-5-19-42(37)55(50)56-44-21-7-6-20-43(44)48(35-51(56)61)45-24-13-27-53-54(45)47-23-9-11-26-52(47)62-53/h1-35,57H,(H,59,60).
What are the key properties of 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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?
9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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 has a molecular weight of 791.95 g/mol, XLogP of 15.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-1-yl-12-[4-[4-(3-phenylphenyl)-3,4-dihydroquinazolin-2-yl]phenyl]-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 is sourced from PubChem (CID 136955330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).