13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine

C120H74N8 — CID 164999029

IUPAC13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5nc6ccccc6cc5c5ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc4cc5c(ccc6ccccc65)nc4c3)nc2-c2ccccc2)cc1.c1ccc2nc3cc(-c4ccc(-c5c6ccc7ccccc7c6nc6c5ccc5ccccc56)cc4)c4ccccc4c3cc2c1
InChIInChI=1S/C44H26N2.C39H25N3.C37H23N3/c1-4-12-32-27(9-1)21-23-36-42(37-24-22-28-10-2-5-13-33(28)44(37)46-43(32)36)30-19-17-29(18-20-30)38-26-41-39(35-15-7-6-14-34(35)38)25-31-11-3-8-16-40(31)45-41;1-4-13-27(14-5-1)36-37(28-15-6-2-7-16-28)42-39(38(41-36)29-17-8-3-9-18-29)31-21-20-30-24-33-32-19-11-10-12-26(32)22-23-34(33)40-35(30)25-31;1-2-10-25(11-3-1)36-30-15-7-9-17-34(30)39-37(40-36)26-20-18-24(19-21-26)31-23-35-32(29-14-6-5-13-28(29)31)22-27-12-4-8-16-33(27)38-35/h1-26H;1-25H;1-23H
InChIKeyHYURGRJCUMVQGA-UHFFFAOYSA-N
MW1627.97 g/mol
LogP31.37
Rot. Bonds9

About 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine

13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine (PubChem CID 164999029) has the molecular formula C120H74N8 and a molecular weight of 1627.97 g/mol. Its IUPAC name is 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine.

Molecular Properties

Compound Name13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine
PubChem CID164999029
Molecular FormulaC120H74N8
Molecular Weight1627.97 g/mol
Exact Mass1626.60
IUPAC Name13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5nc6ccccc6cc5c5ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc4cc5c(ccc6ccccc65)nc4c3)nc2-c2ccccc2)cc1.c1ccc2nc3cc(-c4ccc(-c5c6ccc7ccccc7c6nc6c5ccc5ccccc56)cc4)c4ccccc4c3cc2c1
InChIInChI=1S/C44H26N2.C39H25N3.C37H23N3/c1-4-12-32-27(9-1)21-23-36-42(37-24-22-28-10-2-5-13-33(28)44(37)46-43(32)36)30-19-17-29(18-20-30)38-26-41-39(35-15-7-6-14-34(35)38)25-31-11-3-8-16-40(31)45-41;1-4-13-27(14-5-1)36-37(28-15-6-2-7-16-28)42-39(38(41-36)29-17-8-3-9-18-29)31-21-20-30-24-33-32-19-11-10-12-26(32)22-23-34(33)40-35(30)25-31;1-2-10-25(11-3-1)36-30-15-7-9-17-34(30)39-37(40-36)26-20-18-24(19-21-26)31-23-35-32(29-14-6-5-13-28(29)31)22-27-12-4-8-16-33(27)38-35/h1-26H;1-25H;1-23H
InChIKeyHYURGRJCUMVQGA-UHFFFAOYSA-N
XLogP31.37
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001627.97
LogP ≤ 531.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine with MolForge

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Related Compounds

7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine
CID 164805899
7-[4-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856150
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
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
CID 167087717
2-(5-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)-4-(4-phenylphenyl)quinazoline
CID 167087581
5-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[b]phenanthridine;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[c]phenanthridine;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine
CID 161461215
2,4-diphenyl-6-[3-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine;13-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;13-[4-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 158023215
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825

Frequently Asked Questions

What is the IUPAC name of 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine?
The IUPAC name of 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine (CID 164999029) is 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine.
What is the SMILES notation for 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine?
The canonical SMILES for 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine is c1ccc(-c2nc(-c3ccc(-c4cc5nc6ccccc6cc5c5ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc4cc5c(ccc6ccccc65)nc4c3)nc2-c2ccccc2)cc1.c1ccc2nc3cc(-c4ccc(-c5c6ccc7ccccc7c6nc6c5ccc5ccccc56)cc4)c4ccccc4c3cc2c1.
What is the InChIKey of 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine?
The InChIKey is HYURGRJCUMVQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2.C39H25N3.C37H23N3/c1-4-12-32-27(9-1)21-23-36-42(37-24-22-28-10-2-5-13-33(28)44(37)46-43(32)36)30-19-17-29(18-20-30)38-26-41-39(35-15-7-6-14-34(35)38)25-31-11-3-8-16-40(31)45-41;1-4-13-27(14-5-1)36-37(28-15-6-2-7-16-28)42-39(38(41-36)29-17-8-3-9-18-29)31-21-20-30-24-33-32-19-11-10-12-26(32)22-23-34(33)40-35(30)25-31;1-2-10-25(11-3-1)36-30-15-7-9-17-34(30)39-37(40-36)26-20-18-24(19-21-26)31-23-35-32(29-14-6-5-13-28(29)31)22-27-12-4-8-16-33(27)38-35/h1-26H;1-25H;1-23H.
What are the key properties of 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine?
13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine has a molecular weight of 1627.97 g/mol, XLogP of 31.37, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-benzo[a]acridin-5-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[a]acridine;9-(3,5,6-triphenylpyrazin-2-yl)benzo[a]acridine is sourced from PubChem (CID 164999029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).