N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)

C145H90N6OS2 — CID 159318160

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine) (PubChem CID 159318160) has the molecular formula C145H90N6OS2 and a molecular weight of 1996.49 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine).

Molecular Properties

• Compound Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)
• PubChem CID: 159318160
• Molecular Formula: C145H90N6OS2
• Molecular Weight: 1996.49 g/mol
• Exact Mass: 1994.66
• IUPAC Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc2c(c1)Cc1ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4c(c3)oc3ccccc34)cc1-2
• InChI: InChI=1S/C49H30N2O.2C48H30N2S/c1-2-9-37-32(8-1)26-33-18-22-35(28-43(33)37)50(36-23-24-40-39-11-4-6-15-47(39)52-48(40)29-36)34-20-16-30(17-21-34)31-19-25-46-44(27-31)42-13-7-12-41-38-10-3-5-14-45(38)51(46)49(41)42;2*1-2-9-31(10-3-1)32-17-22-35(23-18-32)49(37-26-28-47-43(30-37)39-12-5-7-16-46(39)51-47)36-24-19-33(20-25-36)34-21-27-45-42(29-34)41-14-8-13-40-38-11-4-6-15-44(38)50(45)48(40)41/h1-25,27-29H,26H2;2*1-30H
• InChIKey: LDKKVROIUTVGGG-UHFFFAOYSA-N
• XLogP: 41.46
• TPSA: 36.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1996.49
LogP ≤ 5	41.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)?

The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine) (CID 159318160) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine).

What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)?

The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine) is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc2c(c1)Cc1ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4c(c3)oc3ccccc34)cc1-2.

What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)?

The InChIKey is LDKKVROIUTVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O.2C48H30N2S/c1-2-9-37-32(8-1)26-33-18-22-35(28-43(33)37)50(36-23-24-40-39-11-4-6-15-47(39)52-48(40)29-36)34-20-16-30(17-21-34)31-19-25-46-44(27-31)42-13-7-12-41-38-10-3-5-14-45(38)51(46)49(41)42;2*1-2-9-31(10-3-1)32-17-22-35(23-18-32)49(37-26-28-47-43(30-37)39-12-5-7-16-46(39)51-47)36-24-19-33(20-25-36)34-21-27-45-42(29-34)41-14-8-13-40-38-11-4-6-15-44(38)50(45)48(40)41/h1-25,27-29H,26H2;2*1-30H.

What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)?

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine) has a molecular weight of 1996.49 g/mol, XLogP of 41.46, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine) is sourced from PubChem (CID 159318160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).