7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile

C60H40N6 — CID 144595910

IUPAC7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C#N)ccc4-5)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21
InChIInChI=1S/C60H40N6/c1-59(2)48-28-35(33-61)18-22-40(48)42-24-20-37(30-50(42)59)52-32-53(38-21-25-43-41-23-19-36(34-62)29-49(41)60(3,4)51(43)31-38)64-58(63-52)66-55-17-11-9-15-45(55)47-27-26-46-44-14-8-10-16-54(44)65(56(46)57(47)66)39-12-6-5-7-13-39/h5-32H,1-4H3
InChIKeyPDSOYAKQKOTUOH-UHFFFAOYSA-N
MW845.02 g/mol
LogP14.36
Rot. Bonds4

About 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile

7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 144595910) has the molecular formula C60H40N6 and a molecular weight of 845.02 g/mol. Its IUPAC name is 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID144595910
Molecular FormulaC60H40N6
Molecular Weight845.02 g/mol
Exact Mass844.33
IUPAC Name7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C#N)ccc4-5)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21
InChIInChI=1S/C60H40N6/c1-59(2)48-28-35(33-61)18-22-40(48)42-24-20-37(30-50(42)59)52-32-53(38-21-25-43-41-23-19-36(34-62)29-49(41)60(3,4)51(43)31-38)64-58(63-52)66-55-17-11-9-15-45(55)47-27-26-46-44-14-8-10-16-54(44)65(56(46)57(47)66)39-12-6-5-7-13-39/h5-32H,1-4H3
InChIKeyPDSOYAKQKOTUOH-UHFFFAOYSA-N
XLogP14.36
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.02
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 67678798
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
18-(9,9-dimethylfluoren-2-yl)-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-(4,6-diphenylpyrimidin-2-yl)-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;18-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;4-[4-phenyl-6-(27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-18-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 159383903
9,9-dimethyl-7-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-pyridin-4-ylphenyl]fluorene-2-carbonitrile
CID 171422071
9-[7-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630678
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 138649925
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 144596066

Frequently Asked Questions

What is the IUPAC name of 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile (CID 144595910) is 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C#N)ccc4-5)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21.
What is the InChIKey of 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is PDSOYAKQKOTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N6/c1-59(2)48-28-35(33-61)18-22-40(48)42-24-20-37(30-50(42)59)52-32-53(38-21-25-43-41-23-19-36(34-62)29-49(41)60(3,4)51(43)31-38)64-58(63-52)66-55-17-11-9-15-45(55)47-27-26-46-44-14-8-10-16-54(44)65(56(46)57(47)66)39-12-6-5-7-13-39/h5-32H,1-4H3.
What are the key properties of 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile?
7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 845.02 g/mol, XLogP of 14.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 144595910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).