3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline

C214H158N4 — CID 161433581

About 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline

3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 161433581) has the molecular formula C214H158N4 and a molecular weight of 2785.65 g/mol. Its IUPAC name is 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 161433581
• Molecular Formula: C214H158N4
• Molecular Weight: 2785.65 g/mol
• Exact Mass: 2783.25
• IUPAC Name: 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1.CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1.CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C60H43N.C56H41N.C52H39N.C46H35N/c1-59(2)53-27-13-29-55-57(53)58-54(59)28-14-30-56(58)60(55,44-19-4-3-5-20-44)45-21-12-22-48(39-45)61(46-35-31-42(32-36-46)51-25-10-17-40-15-6-8-23-49(40)51)47-37-33-43(34-38-47)52-26-11-18-41-16-7-9-24-50(41)52;1-55(2)49-25-13-27-51-53(49)54-50(55)26-14-28-52(54)56(51,42-19-7-4-8-20-42)43-21-12-22-46(37-43)57(44-33-29-39(30-34-44)38-15-5-3-6-16-38)45-35-31-41(32-36-45)48-24-11-18-40-17-9-10-23-47(40)48;1-51(2)45-23-13-25-47-49(45)50-46(51)24-14-26-48(50)52(47,40-19-10-5-11-20-40)41-21-12-22-44(35-41)53(42-31-27-38(28-32-42)36-15-6-3-7-16-36)43-33-29-39(30-34-43)37-17-8-4-9-18-37;1-45(2)39-23-13-25-41-43(39)44-40(45)24-14-26-42(44)46(41,34-17-8-4-9-18-34)35-19-12-22-38(31-35)47(36-20-10-5-11-21-36)37-29-27-33(28-30-37)32-15-6-3-7-16-32/h3-39H,1-2H3;3-37H,1-2H3;3-35H,1-2H3;3-31H,1-2H3
• InChIKey: VYIMXDBUJYNXFU-UHFFFAOYSA-N
• XLogP: 55.76
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 27
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2785.65
LogP ≤ 5	55.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline (CID 161433581) is 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1.CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1.CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1.CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is VYIMXDBUJYNXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N.C56H41N.C52H39N.C46H35N/c1-59(2)53-27-13-29-55-57(53)58-54(59)28-14-30-56(58)60(55,44-19-4-3-5-20-44)45-21-12-22-48(39-45)61(46-35-31-42(32-36-46)51-25-10-17-40-15-6-8-23-49(40)51)47-37-33-43(34-38-47)52-26-11-18-41-16-7-9-24-50(41)52;1-55(2)49-25-13-27-51-53(49)54-50(55)26-14-28-52(54)56(51,42-19-7-4-8-20-42)43-21-12-22-46(37-43)57(44-33-29-39(30-34-44)38-15-5-3-6-16-38)45-35-31-41(32-36-45)48-24-11-18-40-17-9-10-23-47(40)48;1-51(2)45-23-13-25-47-49(45)50-46(51)24-14-26-48(50)52(47,40-19-10-5-11-20-40)41-21-12-22-44(35-41)53(42-31-27-38(28-32-42)36-15-6-3-7-16-36)43-33-29-39(30-34-43)37-17-8-4-9-18-37;1-45(2)39-23-13-25-41-43(39)44-40(45)24-14-26-42(44)46(41,34-17-8-4-9-18-34)35-19-12-22-38(31-35)47(36-20-10-5-11-21-36)37-29-27-33(28-30-37)32-15-6-3-7-16-32/h3-39H,1-2H3;3-37H,1-2H3;3-35H,1-2H3;3-31H,1-2H3.

What are the key properties of 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline?

3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 2785.65 g/mol, XLogP of 55.76, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 161433581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).