5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole

C37H30N2 — CID 121298607

IUPAC5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4C5(C)C)nc3)ccc21
InChIInChI=1S/C37H30N2/c1-36(2)29-14-8-5-11-25(29)28-21-23(17-19-31(28)36)24-18-20-33(38-22-24)39-32-16-10-7-13-27(32)34-26-12-6-9-15-30(26)37(3,4)35(34)39/h5-22H,1-4H3
InChIKeySSUXJTMESBKANN-UHFFFAOYSA-N
MW502.66 g/mol
LogP9.31
Rot. Bonds2

About 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole

5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole (PubChem CID 121298607) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole.

Molecular Properties

Compound Name5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
PubChem CID121298607
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4C5(C)C)nc3)ccc21
InChIInChI=1S/C37H30N2/c1-36(2)29-14-8-5-11-25(29)28-21-23(17-19-31(28)36)24-18-20-33(38-22-24)39-32-16-10-7-13-27(32)34-26-12-6-9-15-30(26)37(3,4)35(34)39/h5-22H,1-4H3
InChIKeySSUXJTMESBKANN-UHFFFAOYSA-N
XLogP9.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118502384
7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole
CID 118503125
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 126632452
12-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118503220
5-[4-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-1,5-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2,4(12),6,8,10,13,15,17,19,21,23,25,27-tridecaene
CID 118330738
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[9-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632345
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
5-(3-chloro-5-methylphenyl)-6,6-dimethylindeno[2,1-b]indole
CID 164770152
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201

Frequently Asked Questions

What is the IUPAC name of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole?
The IUPAC name of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole (CID 121298607) is 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole.
What is the SMILES notation for 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole?
The canonical SMILES for 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5c(c6ccccc64)-c4ccccc4C5(C)C)nc3)ccc21.
What is the InChIKey of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole?
The InChIKey is SSUXJTMESBKANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2/c1-36(2)29-14-8-5-11-25(29)28-21-23(17-19-31(28)36)24-18-20-33(38-22-24)39-32-16-10-7-13-27(32)34-26-12-6-9-15-30(26)37(3,4)35(34)39/h5-22H,1-4H3.
What are the key properties of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole?
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole has a molecular weight of 502.66 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole is sourced from PubChem (CID 121298607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).