5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide

C164H107N10O7PS3 — CID 163892511

About 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide

5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide (PubChem CID 163892511) has the molecular formula C164H107N10O7PS3 and a molecular weight of 2456.90 g/mol. Its IUPAC name is 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide.

Molecular Properties

• Compound Name: 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide
• PubChem CID: 163892511
• Molecular Formula: C164H107N10O7PS3
• Molecular Weight: 2456.90 g/mol
• Exact Mass: 2454.72
• IUPAC Name: 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide
• SMILES: O=P1(c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2-c2ccccc2N1c1ccccc1.O=S1(=O)c2c(ccc3c2c2ccccc2n3-c2ccccc2)-c2c(ccc3c2c2ccccc2n3-c2ccccc2)N1c1ccccc1.O=S1(=O)c2cc3c(cc2-c2c(ccc4c2c2ccccc2n4-c2ccccc2)N1c1ccccc1)c1ccccc1n3-c1ccccc1.O=S1(=O)c2ccc3c(c2-c2c(ccc4c2c2ccccc2n4-c2ccccc2)N1c1ccccc1)c1ccccc1n3-c1ccccc1
• InChI: InChI=1S/3C42H27N3O2S.C38H26NOP/c46-48(47)40-27-39-33(31-20-10-12-22-35(31)44(39)29-16-6-2-7-17-29)26-34(40)42-38(45(48)30-18-8-3-9-19-30)25-24-37-41(42)32-21-11-13-23-36(32)43(37)28-14-4-1-5-15-28;46-48(47)42-33(24-25-37-41(42)32-21-11-13-23-35(32)44(37)29-16-6-2-7-17-29)40-38(45(48)30-18-8-3-9-19-30)27-26-36-39(40)31-20-10-12-22-34(31)43(36)28-14-4-1-5-15-28;46-48(47)38-27-26-36-40(32-21-11-13-23-34(32)44(36)29-16-6-2-7-17-29)42(38)41-37(45(48)30-18-8-3-9-19-30)25-24-35-39(41)31-20-10-12-22-33(31)43(35)28-14-4-1-5-15-28;40-41(36-26-14-12-20-30(36)29-19-11-13-25-35(29)39(41)28-17-5-2-6-18-28)38-33-23-9-7-21-31(33)37(27-15-3-1-4-16-27)32-22-8-10-24-34(32)38/h3*1-27H;1-26H
• InChIKey: QCTKMPLYNMLXQD-UHFFFAOYSA-N
• XLogP: 40.87
• TPSA: 162.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.90
LogP ≤ 5	40.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide?

The IUPAC name of 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide (CID 163892511) is 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide.

What is the SMILES notation for 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide?

The canonical SMILES for 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide is O=P1(c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc2-c2ccccc2N1c1ccccc1.O=S1(=O)c2c(ccc3c2c2ccccc2n3-c2ccccc2)-c2c(ccc3c2c2ccccc2n3-c2ccccc2)N1c1ccccc1.O=S1(=O)c2cc3c(cc2-c2c(ccc4c2c2ccccc2n4-c2ccccc2)N1c1ccccc1)c1ccccc1n3-c1ccccc1.O=S1(=O)c2ccc3c(c2-c2c(ccc4c2c2ccccc2n4-c2ccccc2)N1c1ccccc1)c1ccccc1n3-c1ccccc1.

What is the InChIKey of 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide?

The InChIKey is QCTKMPLYNMLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H27N3O2S.C38H26NOP/c46-48(47)40-27-39-33(31-20-10-12-22-35(31)44(39)29-16-6-2-7-17-29)26-34(40)42-38(45(48)30-18-8-3-9-19-30)25-24-37-41(42)32-21-11-13-23-36(32)43(37)28-14-4-1-5-15-28;46-48(47)42-33(24-25-37-41(42)32-21-11-13-23-35(32)44(37)29-16-6-2-7-17-29)40-38(45(48)30-18-8-3-9-19-30)27-26-36-39(40)31-20-10-12-22-34(31)43(36)28-14-4-1-5-15-28;46-48(47)38-27-26-36-40(32-21-11-13-23-34(32)44(36)29-16-6-2-7-17-29)42(38)41-37(45(48)30-18-8-3-9-19-30)25-24-35-39(41)31-20-10-12-22-33(31)43(35)28-14-4-1-5-15-28;40-41(36-26-14-12-20-30(36)29-19-11-13-25-35(29)39(41)28-17-5-2-6-18-28)38-33-23-9-7-21-31(33)37(27-15-3-1-4-16-27)32-22-8-10-24-34(32)38/h3*1-27H;1-26H.

What are the key properties of 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide?

5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide has a molecular weight of 2456.90 g/mol, XLogP of 40.87, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-6-(10-phenylanthracen-9-yl)benzo[c][2,1]benzazaphosphinine 6-oxide;10,15,20-triphenyl-16λ6-thia-10,15,20-triazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.021,26]octacosa-1(17),2(14),3(11),4,6,8,12,18,21,23,25,27-dodecaene 16,16-dioxide;10,15,25-triphenyl-16λ6-thia-10,15,25-triazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,18(26),19,21,23,27-dodecaene 16,16-dioxide;10,16,21-triphenyl-15λ6-thia-10,16,21-triazaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.022,27]octacosa-1(17),2(14),3(11),4,6,8,12,18,20(28),22,24,26-dodecaene 15,15-dioxide is sourced from PubChem (CID 163892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).