5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine

C32H28N2 — CID 141433409

IUPAC5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)C(C)(C)c3ccc(N)cc3-4)cc21
InChIInChI=1S/C32H28N2/c1-31(2)25-11-7-5-9-21(25)22-15-14-20(18-27(22)31)34-28-12-8-6-10-23(28)29-30(34)24-17-19(33)13-16-26(24)32(29,3)4/h5-18H,33H2,1-4H3
InChIKeySSXJGYNMZADJIR-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.83
Rot. Bonds1

About 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine

5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine (PubChem CID 141433409) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine
PubChem CID141433409
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)C(C)(C)c3ccc(N)cc3-4)cc21
InChIInChI=1S/C32H28N2/c1-31(2)25-11-7-5-9-21(25)22-15-14-20(18-27(22)31)34-28-12-8-6-10-23(28)29-30(34)24-17-19(33)13-16-26(24)32(29,3)4/h5-18H,33H2,1-4H3
InChIKeySSXJGYNMZADJIR-UHFFFAOYSA-N
XLogP7.83
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121267037
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
CID 134551753
CID 134551753
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine (CID 141433409) is 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine is CC1(C)c2ccccc2-c2ccc(-n3c4c(c5ccccc53)C(C)(C)c3ccc(N)cc3-4)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine?
The InChIKey is SSXJGYNMZADJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-31(2)25-11-7-5-9-21(25)22-15-14-20(18-27(22)31)34-28-12-8-6-10-23(28)29-30(34)24-17-19(33)13-16-26(24)32(29,3)4/h5-18H,33H2,1-4H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine?
5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine has a molecular weight of 440.59 g/mol, XLogP of 7.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-10,10-dimethylindeno[1,2-b]indol-3-amine is sourced from PubChem (CID 141433409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).