2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile
C130H86N10 — CID 158511731
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc(C#N)c4ccccc4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc(-c4cc(C#N)c5ccccc5n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3nc(C#N)c4ccccc4n3)cc21
InChIInChI=1S/C47H31N3.C42H28N4.C41H27N3/c1-47(2)40-13-7-5-12-37(40)38-22-17-32(26-41(38)47)31-19-23-44-39(25-31)46-36-11-4-3-9-29(36)18-24-45(46)50(44)34-20-15-30(16-21-34)43-27-33(28-48)35-10-6-8-14-42(35)49-43;1-42(2)35-14-8-6-12-30(35)31-19-16-29(24-36(31)42)28-18-21-40-34(23-28)33-22-27(26-10-4-3-5-11-26)17-20-39(33)46(40)41-44-37-15-9-7-13-32(37)38(25-43)45-41;1-41(2)34-13-7-5-12-31(34)32-18-15-27(22-35(32)41)26-17-19-37-33(21-26)40-30-11-4-3-9-25(30)16-20-38(40)44(37)39-23-28(24-42)29-10-6-8-14-36(29)43-39/h3-27H,1-2H3;3-24H,1-2H3;3-23H,1-2H3
InChIKeyHLDIBUYARROPMQ-UHFFFAOYSA-N
MW1788.19 g/mol
LogP32.57
Rot. Bonds8
About 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile
2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile (PubChem CID 158511731) has the molecular formula C130H86N10 and a molecular weight of 1788.19 g/mol. Its IUPAC name is 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile.
Molecular Properties
| Compound Name | 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile |
|---|---|
| PubChem CID | 158511731 |
| Molecular Formula | C130H86N10 |
| Molecular Weight | 1788.19 g/mol |
| Exact Mass | 1786.70 |
| IUPAC Name | 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc(C#N)c4ccccc4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc(-c4cc(C#N)c5ccccc5n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3nc(C#N)c4ccccc4n3)cc21 |
| InChI | InChI=1S/C47H31N3.C42H28N4.C41H27N3/c1-47(2)40-13-7-5-12-37(40)38-22-17-32(26-41(38)47)31-19-23-44-39(25-31)46-36-11-4-3-9-29(36)18-24-45(46)50(44)34-20-15-30(16-21-34)43-27-33(28-48)35-10-6-8-14-42(35)49-43;1-42(2)35-14-8-6-12-30(35)31-19-16-29(24-36(31)42)28-18-21-40-34(23-28)33-22-27(26-10-4-3-5-11-26)17-20-39(33)46(40)41-44-37-15-9-7-13-32(37)38(25-43)45-41;1-41(2)34-13-7-5-12-31(34)32-18-15-27(22-35(32)41)26-17-19-37-33(21-26)40-30-11-4-3-9-25(30)16-20-38(40)44(37)39-23-28(24-42)29-10-6-8-14-36(29)43-39/h3-27H,1-2H3;3-24H,1-2H3;3-23H,1-2H3 |
| InChIKey | HLDIBUYARROPMQ-UHFFFAOYSA-N |
| XLogP | 32.57 |
| TPSA | 137.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 140 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1788.19 |
| LogP ≤ 5 | 32.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Frequently Asked Questions
What is the IUPAC name of 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile?
The IUPAC name of 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile (CID 158511731) is 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile.
What is the SMILES notation for 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile?
The canonical SMILES for 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cc(C#N)c4ccccc4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccc(-c4cc(C#N)c5ccccc5n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3nc(C#N)c4ccccc4n3)cc21.
What is the InChIKey of 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile?
The InChIKey is HLDIBUYARROPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C42H28N4.C41H27N3/c1-47(2)40-13-7-5-12-37(40)38-22-17-32(26-41(38)47)31-19-23-44-39(25-31)46-36-11-4-3-9-29(36)18-24-45(46)50(44)34-20-15-30(16-21-34)43-27-33(28-48)35-10-6-8-14-42(35)49-43;1-42(2)35-14-8-6-12-30(35)31-19-16-29(24-36(31)42)28-18-21-40-34(23-28)33-22-27(26-10-4-3-5-11-26)17-20-39(33)46(40)41-44-37-15-9-7-13-32(37)38(25-43)45-41;1-41(2)34-13-7-5-12-31(34)32-18-15-27(22-35(32)41)26-17-19-37-33(21-26)40-30-11-4-3-9-25(30)16-20-38(40)44(37)39-23-28(24-42)29-10-6-8-14-36(29)43-39/h3-27H,1-2H3;3-24H,1-2H3;3-23H,1-2H3.
What are the key properties of 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile?
2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile has a molecular weight of 1788.19 g/mol, XLogP of 32.57, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]phenyl]quinoline-4-carbonitrile;2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]quinoline-4-carbonitrile;2-[3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazol-9-yl]quinazoline-4-carbonitrile is sourced from PubChem (CID 158511731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158511731 — identifiers, structure, computed properties (public domain)
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