7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine

C240H169N16O4+ — CID 161318540

IUPAC7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine
SMILESC1=Cc2ccccc2N(c2c3ccccc3c(N3c4ccccc4C=Cc4ccccc43)c3c2cnc2ccccc23)c2ccccc21.COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2ccc2cccc[n+]23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Oc3ccccc32)c2c1cnc1ccccc12
InChIInChI=1S/C45H33N3.C45H29N3.C43H29N3.C41H25N3O2.C35H29N3.C31H24NO2/c2*1-9-21-39-30(13-1)25-26-31-14-2-10-22-40(31)47(39)44-34-17-5-6-18-35(34)45(43-36-19-7-8-20-38(36)46-29-37(43)44)48-41-23-11-3-15-32(41)27-28-33-16-4-12-24-42(33)48;1-9-21-37-28(13-1)25-29-14-2-10-22-38(29)45(37)42-32-17-5-6-18-33(32)43(41-34-19-7-8-20-36(34)44-27-35(41)42)46-39-23-11-3-15-30(39)26-31-16-4-12-24-40(31)46;1-2-14-27-26(13-1)40(43-31-17-5-9-21-35(31)45-36-22-10-6-18-32(36)43)29-25-42-30-16-4-3-15-28(30)39(29)41(27)44-33-19-7-11-23-37(33)46-38-24-12-8-20-34(38)44;1-7-19-31-24(11-1)13-9-21-37(31)34-26-15-3-4-16-27(26)35(38-22-10-14-25-12-2-8-20-32(25)38)33-28-17-5-6-18-30(28)36-23-29(33)34;1-33-24-15-10-21(11-16-24)29-26-8-3-4-9-27(26)30(22-12-17-25(34-2)18-13-22)31-28(29)19-14-23-7-5-6-20-32(23)31/h1-24,29H,25-28H2;1-29H;1-24,27H,25-26H2;1-25H;1-8,11-12,15-20,23H,9-10,13-14,21-22H2;3-20H,1-2H3/q;;;;;+1
InChIKeyFCUNAQDLYZROPV-UHFFFAOYSA-N
MW3341.10 g/mol
LogP62.90
Rot. Bonds14

About 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine

7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine (PubChem CID 161318540) has the molecular formula C240H169N16O4+ and a molecular weight of 3341.10 g/mol. Its IUPAC name is 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine.

Molecular Properties

Compound Name7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine
PubChem CID161318540
Molecular FormulaC240H169N16O4+
Molecular Weight3341.10 g/mol
Exact Mass3338.35
IUPAC Name7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine
SMILESC1=Cc2ccccc2N(c2c3ccccc3c(N3c4ccccc4C=Cc4ccccc43)c3c2cnc2ccccc23)c2ccccc21.COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2ccc2cccc[n+]23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Oc3ccccc32)c2c1cnc1ccccc12
InChIInChI=1S/C45H33N3.C45H29N3.C43H29N3.C41H25N3O2.C35H29N3.C31H24NO2/c2*1-9-21-39-30(13-1)25-26-31-14-2-10-22-40(31)47(39)44-34-17-5-6-18-35(34)45(43-36-19-7-8-20-38(36)46-29-37(43)44)48-41-23-11-3-15-32(41)27-28-33-16-4-12-24-42(33)48;1-9-21-37-28(13-1)25-29-14-2-10-22-38(29)45(37)42-32-17-5-6-18-33(32)43(41-34-19-7-8-20-36(34)44-27-35(41)42)46-39-23-11-3-15-30(39)26-31-16-4-12-24-40(31)46;1-2-14-27-26(13-1)40(43-31-17-5-9-21-35(31)45-36-22-10-6-18-32(36)43)29-25-42-30-16-4-3-15-28(30)39(29)41(27)44-33-19-7-11-23-37(33)46-38-24-12-8-20-34(38)44;1-7-19-31-24(11-1)13-9-21-37(31)34-26-15-3-4-16-27(26)35(38-22-10-14-25-12-2-8-20-32(25)38)33-28-17-5-6-18-30(28)36-23-29(33)34;1-33-24-15-10-21(11-16-24)29-26-8-3-4-9-27(26)30(22-12-17-25(34-2)18-13-22)31-28(29)19-14-23-7-5-6-20-32(23)31/h1-24,29H,25-28H2;1-29H;1-24,27H,25-26H2;1-25H;1-8,11-12,15-20,23H,9-10,13-14,21-22H2;3-20H,1-2H3/q;;;;;+1
InChIKeyFCUNAQDLYZROPV-UHFFFAOYSA-N
XLogP62.90
TPSA137.87 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003341.10
LogP ≤ 562.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine?
The IUPAC name of 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine (CID 161318540) is 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine.
What is the SMILES notation for 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine?
The canonical SMILES for 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine is C1=Cc2ccccc2N(c2c3ccccc3c(N3c4ccccc4C=Cc4ccccc43)c3c2cnc2ccccc23)c2ccccc21.COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2ccc2cccc[n+]23)cc1.c1ccc2c(c1)CCCN2c1c2ccccc2c(N2CCCc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(N2c3ccccc3CCc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)Cc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Cc3ccccc32)c2c1cnc1ccccc12.c1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Oc3ccccc32)c2c1cnc1ccccc12.
What is the InChIKey of 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine?
The InChIKey is FCUNAQDLYZROPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3.C45H29N3.C43H29N3.C41H25N3O2.C35H29N3.C31H24NO2/c2*1-9-21-39-30(13-1)25-26-31-14-2-10-22-40(31)47(39)44-34-17-5-6-18-35(34)45(43-36-19-7-8-20-38(36)46-29-37(43)44)48-41-23-11-3-15-32(41)27-28-33-16-4-12-24-42(33)48;1-9-21-37-28(13-1)25-29-14-2-10-22-38(29)45(37)42-32-17-5-6-18-33(32)43(41-34-19-7-8-20-36(34)44-27-35(41)42)46-39-23-11-3-15-30(39)26-31-16-4-12-24-40(31)46;1-2-14-27-26(13-1)40(43-31-17-5-9-21-35(31)45-36-22-10-6-18-32(36)43)29-25-42-30-16-4-3-15-28(30)39(29)41(27)44-33-19-7-11-23-37(33)46-38-24-12-8-20-34(38)44;1-7-19-31-24(11-1)13-9-21-37(31)34-26-15-3-4-16-27(26)35(38-22-10-14-25-12-2-8-20-32(25)38)33-28-17-5-6-18-30(28)36-23-29(33)34;1-33-24-15-10-21(11-16-24)29-26-8-3-4-9-27(26)30(22-12-17-25(34-2)18-13-22)31-28(29)19-14-23-7-5-6-20-32(23)31/h1-24,29H,25-28H2;1-29H;1-24,27H,25-26H2;1-25H;1-8,11-12,15-20,23H,9-10,13-14,21-22H2;3-20H,1-2H3/q;;;;;+1.
What are the key properties of 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine?
7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine has a molecular weight of 3341.10 g/mol, XLogP of 62.90, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(9H-acridin-10-yl)benzo[j]phenanthridine;7,12-bis(benzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)benzo[j]phenanthridine;7,12-bis(3,4-dihydro-2H-quinolin-1-yl)benzo[j]phenanthridine;7,12-bis(4-methoxyphenyl)naphtho[2,3-c]quinolizin-13-ium;10-(7-phenoxazin-10-ylbenzo[j]phenanthridin-12-yl)phenoxazine is sourced from PubChem (CID 161318540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).