2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

C51H32N4 — CID 121328709

IUPAC2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(C#N)c(-n5c6ccc(-c7ccccc7)cc6c6c7ccccc7ccc65)cc4C#N)c3c21
InChIInChI=1S/C51H32N4/c1-51(2)42-18-10-8-16-37(42)39-22-23-40-38-17-9-11-19-43(38)55(50(40)49(39)51)47-28-34(29-52)46(27-35(47)30-53)54-44-24-21-33(31-12-4-3-5-13-31)26-41(44)48-36-15-7-6-14-32(36)20-25-45(48)54/h3-28H,1-2H3
InChIKeyRMBHBBPTLZHPKX-UHFFFAOYSA-N
MW700.85 g/mol
LogP12.75
Rot. Bonds3

About 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (PubChem CID 121328709) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
PubChem CID121328709
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(C#N)c(-n5c6ccc(-c7ccccc7)cc6c6c7ccccc7ccc65)cc4C#N)c3c21
InChIInChI=1S/C51H32N4/c1-51(2)42-18-10-8-16-37(42)39-22-23-40-38-17-9-11-19-43(38)55(50(40)49(39)51)47-28-34(29-52)46(27-35(47)30-53)54-44-24-21-33(31-12-4-3-5-13-31)26-41(44)48-36-15-7-6-14-32(36)20-25-45(48)54/h3-28H,1-2H3
InChIKeyRMBHBBPTLZHPKX-UHFFFAOYSA-N
XLogP12.75
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)indeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
CID 121328868
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887
5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462131
7,7-dimethyl-12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)indeno[1,2-a]carbazole;12,12-dimethyl-11-naphthalen-1-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 157102443
5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile
CID 153462509
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 118545752
4,7-bis(12,12-dimethyl-8-phenylindeno[2,1-a]carbazol-11-yl)-2,2-dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
CID 122609866

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile (CID 121328709) is 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(C#N)c(-n5c6ccc(-c7ccccc7)cc6c6c7ccccc7ccc65)cc4C#N)c3c21.
What is the InChIKey of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
The InChIKey is RMBHBBPTLZHPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-51(2)42-18-10-8-16-37(42)39-22-23-40-38-17-9-11-19-43(38)55(50(40)49(39)51)47-28-34(29-52)46(27-35(47)30-53)54-44-24-21-33(31-12-4-3-5-13-31)26-41(44)48-36-15-7-6-14-32(36)20-25-45(48)54/h3-28H,1-2H3.
What are the key properties of 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile?
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile has a molecular weight of 700.85 g/mol, XLogP of 12.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).