9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C161H109N7O3 — CID 157066296

About 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 157066296) has the molecular formula C161H109N7O3 and a molecular weight of 2189.69 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
• PubChem CID: 157066296
• Molecular Formula: C161H109N7O3
• Molecular Weight: 2189.69 g/mol
• Exact Mass: 2187.86
• IUPAC Name: 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)c3)cc21.c1ccc(N(c2ccc(-c3ccc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)cc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)c2)cc1
• InChI: InChI=1S/C58H39N3O.C52H34N2O.C51H36N2O/c1-4-18-44(19-5-1)59(45-20-6-2-7-21-45)48-37-49(60(46-22-8-3-9-23-46)47-34-32-41(33-35-47)43-31-30-40-16-10-11-17-42(40)36-43)39-50(38-48)61-53-26-14-25-52-51-24-12-13-28-55(51)62-56-29-15-27-54(61)58(56)57(52)53;1-2-12-41(13-3-1)53(43-30-26-38(27-31-43)40-21-20-35-10-4-5-11-39(35)34-40)42-28-22-36(23-29-42)37-24-32-44(33-25-37)54-47-16-8-15-46-45-14-6-7-18-49(45)55-50-19-9-17-48(54)52(50)51(46)47;1-51(2)43-20-8-6-17-39(43)40-30-29-38(32-44(40)51)52(35-27-25-34(26-28-35)33-13-4-3-5-14-33)36-15-10-16-37(31-36)53-45-21-11-19-42-41-18-7-9-23-47(41)54-48-24-12-22-46(53)50(48)49(42)45/h1-39H;1-34H;3-32H,1-2H3
• InChIKey: ABXITRDOKWLRRY-UHFFFAOYSA-N
• XLogP: 45.21
• TPSA: 67.17 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2189.69
LogP ≤ 5	45.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?

The IUPAC name of 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 157066296) is 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

What is the SMILES notation for 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?

The canonical SMILES for 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)c3)cc21.c1ccc(N(c2ccc(-c3ccc(-n4c5cccc6oc7ccccc7c7cccc4c7c65)cc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc(-n3c4cccc5oc6ccccc6c6cccc3c6c54)c2)cc1.

What is the InChIKey of 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?

The InChIKey is ABXITRDOKWLRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O.C52H34N2O.C51H36N2O/c1-4-18-44(19-5-1)59(45-20-6-2-7-21-45)48-37-49(60(46-22-8-3-9-23-46)47-34-32-41(33-35-47)43-31-30-40-16-10-11-17-42(40)36-43)39-50(38-48)61-53-26-14-25-52-51-24-12-13-28-55(51)62-56-29-15-27-54(61)58(56)57(52)53;1-2-12-41(13-3-1)53(43-30-26-38(27-31-43)40-21-20-35-10-4-5-11-39(35)34-40)42-28-22-36(23-29-42)37-24-32-44(33-25-37)54-47-16-8-15-46-45-14-6-7-18-49(45)55-50-19-9-17-48(54)52(50)51(46)47;1-51(2)43-20-8-6-17-39(43)40-30-29-38(32-44(40)51)52(35-27-25-34(26-28-35)33-13-4-3-5-14-33)36-15-10-16-37(31-36)53-45-21-11-19-42-41-18-7-9-23-47(41)54-48-24-12-22-46(53)50(48)49(42)45/h1-39H;1-34H;3-32H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?

9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine has a molecular weight of 2189.69 g/mol, XLogP of 45.21, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[3-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylaniline;3-N-(4-naphthalen-2-ylphenyl)-5-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 157066296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).