4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene

C206H126N4 — CID 161109224

About 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene

4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene (PubChem CID 161109224) has the molecular formula C206H126N4 and a molecular weight of 2657.30 g/mol. Its IUPAC name is 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene.

Molecular Properties

• Compound Name: 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene
• PubChem CID: 161109224
• Molecular Formula: C206H126N4
• Molecular Weight: 2657.30 g/mol
• Exact Mass: 2655.00
• IUPAC Name: 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)cc5c6cccc7ccc8cccc(c8c76)c54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cccc7ccc8cccc(c8c76)c5n4-c4ccccc4)ccc23)cc1.c1ccc(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc3c4cccc5ccc6cccc(c6c54)c32)cc1.c1ccc(-n2c(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc3c4cccc5ccc6cccc(c6c54)c32)cc1
• InChI: InChI=1S/C58H35N.2C50H31N.C48H29N/c1-2-18-45(19-3-1)59-53(35-52-48-22-10-16-38-26-27-39-17-11-23-50(58(52)59)57(39)56(38)48)42-30-31-49-51(34-42)55(44-29-25-37-13-5-7-15-41(37)33-44)47-21-9-8-20-46(47)54(49)43-28-24-36-12-4-6-14-40(36)32-43;1-4-14-32(15-5-1)46-38-22-10-11-23-39(38)47(33-16-6-2-7-17-33)43-30-36(28-29-41(43)46)45-31-44-40-24-12-18-34-26-27-35-19-13-25-42(49(35)48(34)40)50(44)51(45)37-20-8-3-9-21-37;1-3-13-32(14-4-1)45-31-44-42-23-11-17-34-25-26-35-18-12-24-43(49(35)48(34)42)50(44)51(45)37-29-27-36(28-30-37)47-40-21-9-7-19-38(40)46(33-15-5-2-6-16-33)39-20-8-10-22-41(39)47;1-2-17-33(18-3-1)49-43(29-42-40-25-11-15-31-27-28-32-16-12-26-41(48(42)49)45(32)44(31)40)47-38-22-8-6-20-36(38)46(37-21-7-9-23-39(37)47)35-24-10-14-30-13-4-5-19-34(30)35/h1-35H;2*1-31H;1-29H
• InChIKey: UJLXXNUGUZCIRN-UHFFFAOYSA-N
• XLogP: 57.13
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2657.30
LogP ≤ 5	57.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

The IUPAC name of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene (CID 161109224) is 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene.

What is the SMILES notation for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

The canonical SMILES for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)cc5c6cccc7ccc8cccc(c8c76)c54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cc5c6cccc7ccc8cccc(c8c76)c5n4-c4ccccc4)ccc23)cc1.c1ccc(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc3c4cccc5ccc6cccc(c6c54)c32)cc1.c1ccc(-n2c(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc3c4cccc5ccc6cccc(c6c54)c32)cc1.

What is the InChIKey of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

The InChIKey is UJLXXNUGUZCIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N.2C50H31N.C48H29N/c1-2-18-45(19-3-1)59-53(35-52-48-22-10-16-38-26-27-39-17-11-23-50(58(52)59)57(39)56(38)48)42-30-31-49-51(34-42)55(44-29-25-37-13-5-7-15-41(37)33-44)47-21-9-8-20-46(47)54(49)43-28-24-36-12-4-6-14-40(36)32-43;1-4-14-32(15-5-1)46-38-22-10-11-23-39(38)47(33-16-6-2-7-17-33)43-30-36(28-29-41(43)46)45-31-44-40-24-12-18-34-26-27-35-19-13-25-42(49(35)48(34)40)50(44)51(45)37-20-8-3-9-21-37;1-3-13-32(14-4-1)45-31-44-42-23-11-17-34-25-26-35-18-12-24-43(49(35)48(34)42)50(44)51(45)37-29-27-36(28-30-37)47-40-21-9-7-19-38(40)46(33-15-5-2-6-16-33)39-20-8-10-22-41(39)47;1-2-17-33(18-3-1)49-43(29-42-40-25-11-15-31-27-28-32-16-12-26-41(48(42)49)45(32)44(31)40)47-38-22-8-6-20-36(38)46(37-21-7-9-23-39(37)47)35-24-10-14-30-13-4-5-19-34(30)35/h1-35H;2*1-31H;1-29H.

What are the key properties of 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene?

4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene has a molecular weight of 2657.30 g/mol, XLogP of 57.13, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(9,10-diphenylanthracen-2-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-(10-naphthalen-1-ylanthracen-9-yl)-3-phenyl-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene;4-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]-3-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaene is sourced from PubChem (CID 161109224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).