6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine

C143H83N13O3 — CID 163502376

IUPAC6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
SMILESc1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)cc5)nc5ccccc5c43)o2)cc1.c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)c7cccnc67)cc5)nc5ccccc5c43)o2)cc1.c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc7c(ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc87)c6)cc5)nc5ccccc5c43)o2)cc1
InChIInChI=1S/C52H30N4O.C47H27N5O.C44H26N4O/c1-2-7-35(8-3-1)52-56-51-46(57-52)27-25-43-47(51)42-10-4-5-11-45(42)55-48(43)33-14-12-31(13-15-33)36-20-23-40-37(29-36)18-19-38-30-39(21-24-41(38)40)44-26-22-34-17-16-32-9-6-28-53-49(32)50(34)54-44;1-2-8-32(9-3-1)47-52-46-40(53-47)25-23-37-41(46)36-11-4-5-13-38(36)50-42(37)30-16-14-28(15-17-30)33-21-22-34(35-12-7-27-49-45(33)35)39-24-20-31-19-18-29-10-6-26-48-43(29)44(31)51-39;1-2-8-31(9-3-1)44-48-43-38(49-44)23-22-35-39(43)34-11-4-5-13-37(34)47-40(35)30-20-16-28(17-21-30)27-14-18-29(19-15-27)36-26-32-10-6-24-45-41(32)42-33(36)12-7-25-46-42/h1-30H;1-27H;1-26H
InChIKeyCVVQGLHRTZRKNV-UHFFFAOYSA-N
MW2031.32 g/mol
LogP36.74
Rot. Bonds12

About 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine

6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine (PubChem CID 163502376) has the molecular formula C143H83N13O3 and a molecular weight of 2031.32 g/mol. Its IUPAC name is 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine.

Molecular Properties

Compound Name6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
PubChem CID163502376
Molecular FormulaC143H83N13O3
Molecular Weight2031.32 g/mol
Exact Mass2029.67
IUPAC Name6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
SMILESc1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)cc5)nc5ccccc5c43)o2)cc1.c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)c7cccnc67)cc5)nc5ccccc5c43)o2)cc1.c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc7c(ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc87)c6)cc5)nc5ccccc5c43)o2)cc1
InChIInChI=1S/C52H30N4O.C47H27N5O.C44H26N4O/c1-2-7-35(8-3-1)52-56-51-46(57-52)27-25-43-47(51)42-10-4-5-11-45(42)55-48(43)33-14-12-31(13-15-33)36-20-23-40-37(29-36)18-19-38-30-39(21-24-41(38)40)44-26-22-34-17-16-32-9-6-28-53-49(32)50(34)54-44;1-2-8-32(9-3-1)47-52-46-40(53-47)25-23-37-41(46)36-11-4-5-13-38(36)50-42(37)30-16-14-28(15-17-30)33-21-22-34(35-12-7-27-49-45(33)35)39-24-20-31-19-18-29-10-6-26-48-43(29)44(31)51-39;1-2-8-31(9-3-1)44-48-43-38(49-44)23-22-35-39(43)34-11-4-5-13-37(34)47-40(35)30-20-16-28(17-21-30)27-14-18-29(19-15-27)36-26-32-10-6-24-45-41(32)42-33(36)12-7-25-46-42/h1-30H;1-27H;1-26H
InChIKeyCVVQGLHRTZRKNV-UHFFFAOYSA-N
XLogP36.74
TPSA206.99 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002031.32
LogP ≤ 536.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine with MolForge

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Related Compounds

2-phenyl-6-[4-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-[1,3]oxazolo[5,4-k]phenanthridine
CID 146670632
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 177279465
6-[4-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 162711625
6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
5-[10-[4-(1,10-phenanthrolin-2-yl)phenyl]anthracen-9-yl]-2-phenyl-1,3-benzoxazole
CID 164780534
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 157086605
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
14-[4-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122242
6-(4-bromophenyl)-9-naphthalen-2-yl-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 162711576

Frequently Asked Questions

What is the IUPAC name of 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine?
The IUPAC name of 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine (CID 163502376) is 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine.
What is the SMILES notation for 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine?
The canonical SMILES for 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine is c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)cc5)nc5ccccc5c43)o2)cc1.c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)c7cccnc67)cc5)nc5ccccc5c43)o2)cc1.c1ccc(-c2nc3c(ccc4c(-c5ccc(-c6ccc7c(ccc8cc(-c9ccc%10ccc%11cccnc%11c%10n9)ccc87)c6)cc5)nc5ccccc5c43)o2)cc1.
What is the InChIKey of 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine?
The InChIKey is CVVQGLHRTZRKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O.C47H27N5O.C44H26N4O/c1-2-7-35(8-3-1)52-56-51-46(57-52)27-25-43-47(51)42-10-4-5-11-45(42)55-48(43)33-14-12-31(13-15-33)36-20-23-40-37(29-36)18-19-38-30-39(21-24-41(38)40)44-26-22-34-17-16-32-9-6-28-53-49(32)50(34)54-44;1-2-8-32(9-3-1)47-52-46-40(53-47)25-23-37-41(46)36-11-4-5-13-38(36)50-42(37)30-16-14-28(15-17-30)33-21-22-34(35-12-7-27-49-45(33)35)39-24-20-31-19-18-29-10-6-26-48-43(29)44(31)51-39;1-2-8-31(9-3-1)44-48-43-38(49-44)23-22-35-39(43)34-11-4-5-13-37(34)47-40(35)30-20-16-28(17-21-30)27-14-18-29(19-15-27)36-26-32-10-6-24-45-41(32)42-33(36)12-7-25-46-42/h1-30H;1-27H;1-26H.
What are the key properties of 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine?
6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine has a molecular weight of 2031.32 g/mol, XLogP of 36.74, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine is sourced from PubChem (CID 163502376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).