7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole

C37H31N — CID 118214461

IUPAC7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)ccc1-2
InChIInChI=1S/C37H31N/c1-22-14-16-25-26-17-15-23(19-32(26)37(4,5)31(25)18-22)38-34-13-9-7-11-27(34)29-20-28-24-10-6-8-12-30(24)36(2,3)33(28)21-35(29)38/h6-21H,1-5H3
InChIKeyKVGPNNGAZYSGGG-UHFFFAOYSA-N
MW489.66 g/mol
LogP9.70
Rot. Bonds1

About 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole

7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole (PubChem CID 118214461) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
PubChem CID118214461
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)ccc1-2
InChIInChI=1S/C37H31N/c1-22-14-16-25-26-17-15-23(19-32(26)37(4,5)31(25)18-22)38-34-13-9-7-11-27(34)29-20-28-24-10-6-8-12-30(24)36(2,3)33(28)21-35(29)38/h6-21H,1-5H3
InChIKeyKVGPNNGAZYSGGG-UHFFFAOYSA-N
XLogP9.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(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-dodecaen-15-yl)phenyl]-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 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
CID 134551753
CID 134551753
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole (CID 118214461) is 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole is Cc1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)ccc1-2.
What is the InChIKey of 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole?
The InChIKey is KVGPNNGAZYSGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N/c1-22-14-16-25-26-17-15-23(19-32(26)37(4,5)31(25)18-22)38-34-13-9-7-11-27(34)29-20-28-24-10-6-8-12-30(24)36(2,3)33(28)21-35(29)38/h6-21H,1-5H3.
What are the key properties of 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole?
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole has a molecular weight of 489.66 g/mol, XLogP of 9.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 118214461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).