11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole

C47H31N — CID 118580626

IUPAC11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)c3c21
InChIInChI=1S/C47H31N/c1-47(2)41-20-9-7-15-33(41)39-24-25-40-35-17-8-10-21-42(35)48(46(40)45(39)47)43-27-26-31(28-12-5-6-16-34(28)43)32-22-23-38-30-14-4-3-13-29(30)36-18-11-19-37(32)44(36)38/h3-27H,1-2H3
InChIKeyCRNAZOPQQXPQAZ-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.71
Rot. Bonds2

About 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole

11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 118580626) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID118580626
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)c3c21
InChIInChI=1S/C47H31N/c1-47(2)41-20-9-7-15-33(41)39-24-25-40-35-17-8-10-21-42(35)48(46(40)45(39)47)43-27-26-31(28-12-5-6-16-34(28)43)32-22-23-38-30-14-4-3-13-29(30)36-18-11-19-37(32)44(36)38/h3-27H,1-2H3
InChIKeyCRNAZOPQQXPQAZ-UHFFFAOYSA-N
XLogP12.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580972
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
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
[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]boronic acid
CID 123843821
4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
9-(3-fluoranthen-3-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580975
15,26,26-trimethyl-4-phenyl-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 145449729
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
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070

Frequently Asked Questions

What is the IUPAC name of 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole (CID 118580626) is 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5ccccc45)c3c21.
What is the InChIKey of 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is CRNAZOPQQXPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-47(2)41-20-9-7-15-33(41)39-24-25-40-35-17-8-10-21-42(35)48(46(40)45(39)47)43-27-26-31(28-12-5-6-16-34(28)43)32-22-23-38-30-14-4-3-13-29(30)36-18-11-19-37(32)44(36)38/h3-27H,1-2H3.
What are the key properties of 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole?
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 609.77 g/mol, XLogP of 12.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 118580626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).