3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline

C163H101N9O — CID 158271306

IUPAC3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccc6ccc7ccccc7c6c45)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccc8ccc9ccccc9c8c67)n5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3nc4c(ccc5ccccc54)nc3-c3cccc4ccc5ccc6ccccc6c5c34)c2)cc1.c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4ccc5ccc6ccccc6c5c34)c2)cc1
InChIInChI=1S/C45H27N3O.C42H26N2.2C38H24N2/c1-3-10-28(11-4-1)33-22-24-39-37(26-33)38-27-34(23-25-40(38)49-39)44-46-43(32-13-5-2-6-14-32)47-45(48-44)36-17-9-15-30-20-21-31-19-18-29-12-7-8-16-35(29)41(31)42(30)36;1-2-10-27(11-3-1)32-15-8-16-33(26-32)40-42(43-37-25-24-29-13-5-7-18-35(29)41(37)44-40)36-19-9-14-30-22-23-31-21-20-28-12-4-6-17-34(28)38(31)39(30)36;1-2-10-25(11-3-1)29-14-8-15-30(24-29)37-38(40-34-19-7-6-18-33(34)39-37)32-17-9-13-27-22-23-28-21-20-26-12-4-5-16-31(26)35(28)36(27)32;1-2-9-25(10-3-1)26-17-23-30(24-18-26)37-32-14-6-7-16-34(32)39-38(40-37)33-15-8-12-28-21-22-29-20-19-27-11-4-5-13-31(27)35(29)36(28)33/h1-27H;1-26H;2*1-24H
InChIKeyGJBIJDRHXXOIAC-UHFFFAOYSA-N
MW2201.66 g/mol
LogP43.32
Rot. Bonds13

About 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline

3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline (PubChem CID 158271306) has the molecular formula C163H101N9O and a molecular weight of 2201.66 g/mol. Its IUPAC name is 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline.

Molecular Properties

Compound Name3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline
PubChem CID158271306
Molecular FormulaC163H101N9O
Molecular Weight2201.66 g/mol
Exact Mass2199.81
IUPAC Name3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccc6ccc7ccccc7c6c45)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccc8ccc9ccccc9c8c67)n5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3nc4c(ccc5ccccc54)nc3-c3cccc4ccc5ccc6ccccc6c5c34)c2)cc1.c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4ccc5ccc6ccccc6c5c34)c2)cc1
InChIInChI=1S/C45H27N3O.C42H26N2.2C38H24N2/c1-3-10-28(11-4-1)33-22-24-39-37(26-33)38-27-34(23-25-40(38)49-39)44-46-43(32-13-5-2-6-14-32)47-45(48-44)36-17-9-15-30-20-21-31-19-18-29-12-7-8-16-35(29)41(31)42(30)36;1-2-10-27(11-3-1)32-15-8-16-33(26-32)40-42(43-37-25-24-29-13-5-7-18-35(29)41(37)44-40)36-19-9-14-30-22-23-31-21-20-28-12-4-6-17-34(28)38(31)39(30)36;1-2-10-25(11-3-1)29-14-8-15-30(24-29)37-38(40-34-19-7-6-18-33(34)39-37)32-17-9-13-27-22-23-28-21-20-26-12-4-5-16-31(26)35(28)36(27)32;1-2-9-25(10-3-1)26-17-23-30(24-18-26)37-32-14-6-7-16-34(32)39-38(40-37)33-15-8-12-28-21-22-29-20-19-27-11-4-5-13-31(27)35(29)36(28)33/h1-27H;1-26H;2*1-24H
InChIKeyGJBIJDRHXXOIAC-UHFFFAOYSA-N
XLogP43.32
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002201.66
LogP ≤ 543.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzofuran-1-yl-7-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-2-phenylquinazoline;7-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-2,4-diphenylquinazoline;2-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-3-(3-phenylphenyl)quinoxaline
CID 167640676
6-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline;7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzofuran-1-ylphenyl)-2,3-diphenylquinoxaline
CID 165054552
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620
2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine
CID 160755193
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
4-dibenzofuran-1-yl-2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)quinazoline;4-naphthalen-2-yl-7-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-2-phenylquinazoline;2-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-4-phenylquinazoline
CID 167694805
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166743660
11-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-12-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 163790370
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677
5-chrysen-3-yl-2,3-diphenylquinoxaline;3-chrysen-3-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-chrysen-3-yl-3-(3-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 157359953

Frequently Asked Questions

What is the IUPAC name of 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline?
The IUPAC name of 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline (CID 158271306) is 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline.
What is the SMILES notation for 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline?
The canonical SMILES for 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline is c1ccc(-c2ccc(-c3nc(-c4cccc5ccc6ccc7ccccc7c6c45)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccc8ccc9ccccc9c8c67)n5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3nc4c(ccc5ccccc54)nc3-c3cccc4ccc5ccc6ccccc6c5c34)c2)cc1.c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4ccc5ccc6ccccc6c5c34)c2)cc1.
What is the InChIKey of 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline?
The InChIKey is GJBIJDRHXXOIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O.C42H26N2.2C38H24N2/c1-3-10-28(11-4-1)33-22-24-39-37(26-33)38-27-34(23-25-40(38)49-39)44-46-43(32-13-5-2-6-14-32)47-45(48-44)36-17-9-15-30-20-21-31-19-18-29-12-7-8-16-35(29)41(31)42(30)36;1-2-10-27(11-3-1)32-15-8-16-33(26-32)40-42(43-37-25-24-29-13-5-7-18-35(29)41(37)44-40)36-19-9-14-30-22-23-31-21-20-28-12-4-6-17-34(28)38(31)39(30)36;1-2-10-25(11-3-1)29-14-8-15-30(24-29)37-38(40-34-19-7-6-18-33(34)39-37)32-17-9-13-27-22-23-28-21-20-26-12-4-5-16-31(26)35(28)36(27)32;1-2-9-25(10-3-1)26-17-23-30(24-18-26)37-32-14-6-7-16-34(32)39-38(40-37)33-15-8-12-28-21-22-29-20-19-27-11-4-5-13-31(27)35(29)36(28)33/h1-27H;1-26H;2*1-24H.
What are the key properties of 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline?
3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline has a molecular weight of 2201.66 g/mol, XLogP of 43.32, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[c]phenanthren-1-yl-2-(3-phenylphenyl)benzo[f]quinoxaline;2-benzo[c]phenanthren-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine;2-benzo[c]phenanthren-1-yl-4-(4-phenylphenyl)quinazoline;2-benzo[c]phenanthren-1-yl-3-(3-phenylphenyl)quinoxaline is sourced from PubChem (CID 158271306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).