10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C195H114N6O4 — CID 160643438

About 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 160643438) has the molecular formula C195H114N6O4 and a molecular weight of 2605.09 g/mol. Its IUPAC name is 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 160643438
• Molecular Formula: C195H114N6O4
• Molecular Weight: 2605.09 g/mol
• Exact Mass: 2602.89
• IUPAC Name: 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: CC1(C)c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc2-c2c1ccc1ccccc21.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6n6c7ccc(-c8ccc9oc%10c%11ccccc%11c%11ccccc%11c%10c9c8)cc7c(c4)c56)cc32)cc1.c1ccc2c(c1)ccc1c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3oc21.c1ccc2c(c1)ccc1oc3ccc(-c4ccc5c6ccccc6n6c7ccccc7c4c56)cc3c12.c1ccc2cc3c(cc2c1)oc1ccc(-c2ccc4c5cccc6c7ccccc7n(c4c2)c65)cc13
• InChI: InChI=1S/C56H32N2O.C37H25N.3C34H19NO/c1-2-12-37(13-3-1)57-49-20-10-8-16-40(49)42-25-22-35(32-52(42)57)36-30-46-41-17-9-11-21-50(41)58-51-26-23-33(28-45(51)47(31-36)55(46)58)34-24-27-53-48(29-34)54-43-18-6-4-14-38(43)39-15-5-7-19-44(39)56(54)59-53;1-37(2)31-18-16-22-9-3-4-10-25(22)35(31)28-17-15-23(21-32(28)37)24-19-29-26-11-5-7-13-33(26)38-34-14-8-6-12-27(34)30(20-24)36(29)38;1-2-8-22-20(7-1)13-18-31-32(22)27-19-21(14-17-30(27)36-31)23-15-16-25-24-9-3-5-11-28(24)35-29-12-6-4-10-26(29)33(23)34(25)35;1-2-8-22-20(7-1)15-17-28-27-13-5-10-23(34(27)36-33(22)28)21-16-18-31-29(19-21)26-12-6-11-25-24-9-3-4-14-30(24)35(31)32(25)26;1-2-7-21-19-33-29(16-20(21)6-1)28-17-22(13-15-32(28)36-33)23-12-14-25-27-10-5-9-26-24-8-3-4-11-30(24)35(34(26)27)31(25)18-23/h1-32H;3-21H,1-2H3;3*1-19H
• InChIKey: RJMCLCFWYLTIAE-UHFFFAOYSA-N
• XLogP: 54.11
• TPSA: 79.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2605.09
LogP ≤ 5	54.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 160643438) is 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is CC1(C)c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)ccc2-c2c1ccc1ccccc21.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6n6c7ccc(-c8ccc9oc%10c%11ccccc%11c%11ccccc%11c%10c9c8)cc7c(c4)c56)cc32)cc1.c1ccc2c(c1)ccc1c3cccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)c3oc21.c1ccc2c(c1)ccc1oc3ccc(-c4ccc5c6ccccc6n6c7ccccc7c4c56)cc3c12.c1ccc2cc3c(cc2c1)oc1ccc(-c2ccc4c5cccc6c7ccccc7n(c4c2)c65)cc13.

What is the InChIKey of 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is RJMCLCFWYLTIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N2O.C37H25N.3C34H19NO/c1-2-12-37(13-3-1)57-49-20-10-8-16-40(49)42-25-22-35(32-52(42)57)36-30-46-41-17-9-11-21-50(41)58-51-26-23-33(28-45(51)47(31-36)55(46)58)34-24-27-53-48(29-34)54-43-18-6-4-14-38(43)39-15-5-7-19-44(39)56(54)59-53;1-37(2)31-18-16-22-9-3-4-10-25(22)35(31)28-17-15-23(21-32(28)37)24-19-29-26-11-5-7-13-33(26)38-34-14-8-6-12-27(34)30(20-24)36(29)38;1-2-8-22-20(7-1)13-18-31-32(22)27-19-21(14-17-30(27)36-31)23-15-16-25-24-9-3-5-11-28(24)35-29-12-6-4-10-26(29)33(23)34(25)35;1-2-8-22-20(7-1)15-17-28-27-13-5-10-23(34(27)36-33(22)28)21-16-18-31-29(19-21)26-12-6-11-25-24-9-3-4-14-30(24)35(31)32(25)26;1-2-7-21-19-33-29(16-20(21)6-1)28-17-22(13-15-32(28)36-33)23-12-14-25-27-10-5-9-26-24-8-3-4-11-30(24)35(34(26)27)31(25)18-23/h1-32H;3-21H,1-2H3;3*1-19H.

What are the key properties of 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 2605.09 g/mol, XLogP of 54.11, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;4-naphtho[2,3-b][1]benzofuran-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-naphtho[1,2-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;9-naphtho[2,1-b][1]benzofuran-10-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-10-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 160643438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).