11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
C223H162N4 — CID 165030330
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)c3ccc4ccccc4c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/3C57H41N.C52H39N/c1-57(2)52-36-44-23-12-11-22-43(44)35-51(52)49-30-29-47(37-53(49)57)58(54-31-28-45(38-15-5-3-6-16-38)34-50(54)40-18-7-4-8-19-40)55-32-27-41-20-13-14-24-48(41)56(55)46-26-25-39-17-9-10-21-42(39)33-46;1-57(2)53-36-44-23-12-11-22-43(44)35-52(53)51-29-28-48(37-54(51)57)58(49-33-46(38-15-5-3-6-16-38)32-47(34-49)39-17-7-4-8-18-39)55-30-27-41-20-13-14-24-50(41)56(55)45-26-25-40-19-9-10-21-42(40)31-45;1-57(2)53-36-46-18-9-8-17-45(46)35-52(53)51-32-31-49(37-54(51)57)58(48-29-26-42(27-30-48)41-22-20-40(21-23-41)38-12-4-3-5-13-38)55-33-28-43-15-10-11-19-50(43)56(55)47-25-24-39-14-6-7-16-44(39)34-47;1-34-16-18-36(19-17-34)37-22-25-43(26-23-37)53(44-27-28-46-47-31-40-13-6-7-14-41(40)32-48(47)52(2,3)49(46)33-44)50-29-24-38-11-8-9-15-45(38)51(50)42-21-20-35-10-4-5-12-39(35)30-42/h3*3-37H,1-2H3;4-33H,1-3H3
InChIKeyMNYDEGHFNOHMDM-UHFFFAOYSA-N
MW2897.78 g/mol
LogP62.33
Rot. Bonds23
About 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine (PubChem CID 165030330) has the molecular formula C223H162N4 and a molecular weight of 2897.78 g/mol. Its IUPAC name is 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine.
Molecular Properties
| Compound Name | 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine |
|---|---|
| PubChem CID | 165030330 |
| Molecular Formula | C223H162N4 |
| Molecular Weight | 2897.78 g/mol |
| Exact Mass | 2895.28 |
| IUPAC Name | 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine |
| SMILES | CC1(C)c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)c3ccc4ccccc4c3-c3ccc4ccccc4c3)cc2)cc1 |
| InChI | InChI=1S/3C57H41N.C52H39N/c1-57(2)52-36-44-23-12-11-22-43(44)35-51(52)49-30-29-47(37-53(49)57)58(54-31-28-45(38-15-5-3-6-16-38)34-50(54)40-18-7-4-8-19-40)55-32-27-41-20-13-14-24-48(41)56(55)46-26-25-39-17-9-10-21-42(39)33-46;1-57(2)53-36-44-23-12-11-22-43(44)35-52(53)51-29-28-48(37-54(51)57)58(49-33-46(38-15-5-3-6-16-38)32-47(34-49)39-17-7-4-8-18-39)55-30-27-41-20-13-14-24-50(41)56(55)45-26-25-40-19-9-10-21-42(40)31-45;1-57(2)53-36-46-18-9-8-17-45(46)35-52(53)51-32-31-49(37-54(51)57)58(48-29-26-42(27-30-48)41-22-20-40(21-23-41)38-12-4-3-5-13-38)55-33-28-43-15-10-11-19-50(43)56(55)47-25-24-39-14-6-7-16-44(39)34-47;1-34-16-18-36(19-17-34)37-22-25-43(26-23-37)53(44-27-28-46-47-31-40-13-6-7-14-41(40)32-48(47)52(2,3)49(46)33-44)50-29-24-38-11-8-9-15-45(38)51(50)42-21-20-35-10-4-5-12-39(35)30-42/h3*3-37H,1-2H3;4-33H,1-3H3 |
| InChIKey | MNYDEGHFNOHMDM-UHFFFAOYSA-N |
| XLogP | 62.33 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 227 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2897.78 |
| LogP ≤ 5 | 62.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Frequently Asked Questions
What is the IUPAC name of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?
The IUPAC name of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine (CID 165030330) is 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine.
What is the SMILES notation for 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?
The canonical SMILES for 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine is CC1(C)c2cc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)ccc2-c2cc3ccccc3cc21.Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)c3ccc4ccccc4c3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?
The InChIKey is MNYDEGHFNOHMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C57H41N.C52H39N/c1-57(2)52-36-44-23-12-11-22-43(44)35-51(52)49-30-29-47(37-53(49)57)58(54-31-28-45(38-15-5-3-6-16-38)34-50(54)40-18-7-4-8-19-40)55-32-27-41-20-13-14-24-48(41)56(55)46-26-25-39-17-9-10-21-42(39)33-46;1-57(2)53-36-44-23-12-11-22-43(44)35-52(53)51-29-28-48(37-54(51)57)58(49-33-46(38-15-5-3-6-16-38)32-47(34-49)39-17-7-4-8-18-39)55-30-27-41-20-13-14-24-50(41)56(55)45-26-25-40-19-9-10-21-42(40)31-45;1-57(2)53-36-46-18-9-8-17-45(46)35-52(53)51-32-31-49(37-54(51)57)58(48-29-26-42(27-30-48)41-22-20-40(21-23-41)38-12-4-3-5-13-38)55-33-28-43-15-10-11-19-50(43)56(55)47-25-24-39-14-6-7-16-44(39)34-47;1-34-16-18-36(19-17-34)37-22-25-43(26-23-37)53(44-27-28-46-47-31-40-13-6-7-14-41(40)32-48(47)52(2,3)49(46)33-44)50-29-24-38-11-8-9-15-45(38)51(50)42-21-20-35-10-4-5-12-39(35)30-42/h3*3-37H,1-2H3;4-33H,1-3H3.
What are the key properties of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine has a molecular weight of 2897.78 g/mol, XLogP of 62.33, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]benzo[b]fluoren-2-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine;N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 165030330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 165030330 — identifiers, structure, computed properties (public domain)
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