19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene

C60H38N4O — CID 153125346

IUPAC19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene
SMILESC1=Cc2c(c(-c3nc(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)c6ccccc6n5)cc4)nc4c3oc3c5c(c6ccccc6c34)C=CCC5)cc3ccccc23)CC1
InChIInChI=1S/C60H38N4O/c1-3-17-39-37(15-1)33-50(45-23-7-5-19-41(39)45)54-49-27-13-14-28-52(49)61-59(62-54)35-29-31-36(32-30-35)60-63-55(51-34-38-16-2-4-18-40(38)42-20-6-8-24-46(42)51)58-56(64-60)53-47-25-11-9-21-43(47)44-22-10-12-26-48(44)57(53)65-58/h1-7,9-11,13-23,25,27-34H,8,12,24,26H2
InChIKeyVVRMXRZNVATZJC-UHFFFAOYSA-N
MW830.99 g/mol
LogP15.52
Rot. Bonds4

About 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene

19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene (PubChem CID 153125346) has the molecular formula C60H38N4O and a molecular weight of 830.99 g/mol. Its IUPAC name is 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene
PubChem CID153125346
Molecular FormulaC60H38N4O
Molecular Weight830.99 g/mol
Exact Mass830.30
IUPAC Name19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene
SMILESC1=Cc2c(c(-c3nc(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)c6ccccc6n5)cc4)nc4c3oc3c5c(c6ccccc6c34)C=CCC5)cc3ccccc23)CC1
InChIInChI=1S/C60H38N4O/c1-3-17-39-37(15-1)33-50(45-23-7-5-19-41(39)45)54-49-27-13-14-28-52(49)61-59(62-54)35-29-31-36(32-30-35)60-63-55(51-34-38-16-2-4-18-40(38)42-20-6-8-24-46(42)51)58-56(64-60)53-47-25-11-9-21-43(47)44-22-10-12-26-48(44)57(53)65-58/h1-7,9-11,13-23,25,27-34H,8,12,24,26H2
InChIKeyVVRMXRZNVATZJC-UHFFFAOYSA-N
XLogP15.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.99
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

4-[2-(4-cyanophenyl)-8-(7,8-dihydrophenanthren-9-yl)-6-phenanthren-9-ylquinazolin-4-yl]benzonitrile
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CID 167007325
19-naphthalen-1-yl-17-[3-(3-phenylphenyl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 129128912
2-(8,9-dihydrodibenzofuran-2-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 163504946
4-(7-phenanthren-9-yldibenzofuran-1-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 177129890
2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine;4-phenanthren-9-yl-2-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 161492572
4-dibenzofuran-1-yl-7-(10-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-2-phenylquinazoline
CID 167087633
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
2-[3-(7,8-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170219498
2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167007593
6-[4-[4-(4-phenylphenyl)-5,6-dihydroquinazolin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 170116532
2,8-diphenyl-4-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 171051283

Frequently Asked Questions

What is the IUPAC name of 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene?
The IUPAC name of 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene (CID 153125346) is 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene.
What is the SMILES notation for 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene?
The canonical SMILES for 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene is C1=Cc2c(c(-c3nc(-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)c6ccccc6n5)cc4)nc4c3oc3c5c(c6ccccc6c34)C=CCC5)cc3ccccc23)CC1.
What is the InChIKey of 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene?
The InChIKey is VVRMXRZNVATZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O/c1-3-17-39-37(15-1)33-50(45-23-7-5-19-41(39)45)54-49-27-13-14-28-52(49)61-59(62-54)35-29-31-36(32-30-35)60-63-55(51-34-38-16-2-4-18-40(38)42-20-6-8-24-46(42)51)58-56(64-60)53-47-25-11-9-21-43(47)44-22-10-12-26-48(44)57(53)65-58/h1-7,9-11,13-23,25,27-34H,8,12,24,26H2.
What are the key properties of 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene?
19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene has a molecular weight of 830.99 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(7,8-dihydrophenanthren-9-yl)-17-[4-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-21-oxa-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene is sourced from PubChem (CID 153125346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).