5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole

C35H26N2 — CID 121289685

IUPAC5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)ccc21
InChIInChI=1S/C35H26N2/c1-35(2)29-17-9-6-14-25(29)28-22-24(20-21-30(28)35)37-32-19-11-8-16-27(32)33-26-15-7-10-18-31(26)36(34(33)37)23-12-4-3-5-13-23/h3-22H,1-2H3
InChIKeyKFDDFECIWGAWPE-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.03
Rot. Bonds2

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

5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole (PubChem CID 121289685) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
PubChem CID121289685
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)ccc21
InChIInChI=1S/C35H26N2/c1-35(2)29-17-9-6-14-25(29)28-22-24(20-21-30(28)35)37-32-19-11-8-16-27(32)33-26-15-7-10-18-31(26)36(34(33)37)23-12-4-3-5-13-23/h3-22H,1-2H3
InChIKeyKFDDFECIWGAWPE-UHFFFAOYSA-N
XLogP9.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
21-(9,9-dimethylfluoren-3-yl)-8-thia-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15,17,19-decaene
CID 176627345
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
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
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595599
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole?
The IUPAC name of 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole (CID 121289685) is 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole?
The canonical SMILES for 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5ccccc5n(-c5ccccc5)c43)ccc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole?
The InChIKey is KFDDFECIWGAWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-35(2)29-17-9-6-14-25(29)28-22-24(20-21-30(28)35)37-32-19-11-8-16-27(32)33-26-15-7-10-18-31(26)36(34(33)37)23-12-4-3-5-13-23/h3-22H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole?
5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole has a molecular weight of 474.61 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole is sourced from PubChem (CID 121289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).