5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole

C43H29N — CID 118580618

IUPAC5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4)c3cc21
InChIInChI=1S/C43H29N/c1-43(2)38-15-5-3-11-31(38)36-24-37-32-12-4-6-16-40(32)44(41(37)25-39(36)43)29-20-17-26(18-21-29)28-19-22-30-33-13-7-9-27-10-8-14-34(42(27)33)35(30)23-28/h3-25H,1-2H3
InChIKeyCATBGCROIAXSCC-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.56
Rot. Bonds2

About 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole

5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 118580618) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID118580618
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC Name5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4)c3cc21
InChIInChI=1S/C43H29N/c1-43(2)38-15-5-3-11-31(38)36-24-37-32-12-4-6-16-40(32)44(41(37)25-39(36)43)29-20-17-26(18-21-29)28-19-22-30-33-13-7-9-27-10-8-14-34(42(27)33)35(30)23-28/h3-25H,1-2H3
InChIKeyCATBGCROIAXSCC-UHFFFAOYSA-N
XLogP11.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
3-(9,9-dimethylfluoren-2-yl)-9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazole
CID 130295137
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
7,7-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[2,1-b]carbazole;11,11-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 160620508
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 66585289

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole (CID 118580618) is 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4)c3cc21.
What is the InChIKey of 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is CATBGCROIAXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-43(2)38-15-5-3-11-31(38)36-24-37-32-12-4-6-16-40(32)44(41(37)25-39(36)43)29-20-17-26(18-21-29)28-19-22-30-33-13-7-9-27-10-8-14-34(42(27)33)35(30)23-28/h3-25H,1-2H3.
What are the key properties of 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole?
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 559.71 g/mol, XLogP of 11.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 118580618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).