9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile

C43H28N2 — CID 90194761

IUPAC9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3c4ccccc4c(-c4nc5ccccc5c5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C43H28N2/c1-43(2)37-23-26(25-44)19-21-29(37)30-22-20-27(24-38(30)43)40-32-13-4-6-15-34(32)41(35-16-7-5-14-33(35)40)42-36-17-8-3-11-28(36)31-12-9-10-18-39(31)45-42/h3-24H,1-2H3
InChIKeyQYPFXMFKQWYAIK-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.21
Rot. Bonds2

About 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile

9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile (PubChem CID 90194761) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile.

Molecular Properties

Compound Name9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile
PubChem CID90194761
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3c4ccccc4c(-c4nc5ccccc5c5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C43H28N2/c1-43(2)37-23-26(25-44)19-21-29(37)30-22-20-27(24-38(30)43)40-32-13-4-6-15-34(32)41(35-16-7-5-14-33(35)40)42-36-17-8-3-11-28(36)31-12-9-10-18-39(31)45-42/h3-24H,1-2H3
InChIKeyQYPFXMFKQWYAIK-UHFFFAOYSA-N
XLogP11.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-7-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 129183053
7-[6-(4-fluorophenyl)benzo[k]phenanthridin-8-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 138605612
9,9-dimethyl-7-[10-(14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 129119472
7-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 138605696
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
7-[3-([1,4]benzodithiino[3,2-b]quinoxalin-3-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodithiino[3,2-b]quinoxaline
CID 160571713
9,9-dimethyl-7-(13-phenyl-12-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-16-yl)fluorene-2-carbonitrile
CID 129183031
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthro[9,10-c]pyridin-3-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421733
9,9-dimethyl-7-[3-(13-phenyl-12-azapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-18-yl)phenyl]fluorene-2-carbonitrile
CID 129182853
4-[5-(9,9-dimethylfluoren-2-yl)benzo[c]phenanthren-8-yl]benzonitrile
CID 89027078
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile?
The IUPAC name of 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile (CID 90194761) is 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile.
What is the SMILES notation for 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile?
The canonical SMILES for 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3c4ccccc4c(-c4nc5ccccc5c5ccccc45)c4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile?
The InChIKey is QYPFXMFKQWYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-43(2)37-23-26(25-44)19-21-29(37)30-22-20-27(24-38(30)43)40-32-13-4-6-15-34(32)41(35-16-7-5-14-33(35)40)42-36-17-8-3-11-28(36)31-12-9-10-18-39(31)45-42/h3-24H,1-2H3.
What are the key properties of 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile?
9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile has a molecular weight of 572.71 g/mol, XLogP of 11.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile is sourced from PubChem (CID 90194761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).