2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine

C74H72N2 — CID 23561815

IUPAC2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C74H72N2/c1-9-71(10-2)63-31-23-20-28-55(63)58-39-34-50(44-66(58)71)75(49-26-18-17-19-27-49)51-35-42-61-62-43-38-54(48-70(62)74(15-7,16-8)69(61)45-51)76(52-36-40-59-56-29-21-24-32-64(56)72(11-3,12-4)67(59)46-52)53-37-41-60-57-30-22-25-33-65(57)73(13-5,14-6)68(60)47-53/h17-48H,9-16H2,1-8H3
InChIKeyFIDDRVDTTIKFIS-UHFFFAOYSA-N
MW989.40 g/mol
LogP20.97
Rot. Bonds14

About 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine (PubChem CID 23561815) has the molecular formula C74H72N2 and a molecular weight of 989.40 g/mol. Its IUPAC name is 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
PubChem CID23561815
Molecular FormulaC74H72N2
Molecular Weight989.40 g/mol
Exact Mass988.57
IUPAC Name2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C74H72N2/c1-9-71(10-2)63-31-23-20-28-55(63)58-39-34-50(44-66(58)71)75(49-26-18-17-19-27-49)51-35-42-61-62-43-38-54(48-70(62)74(15-7,16-8)69(61)45-51)76(52-36-40-59-56-29-21-24-32-64(56)72(11-3,12-4)67(59)46-52)53-37-41-60-57-30-22-25-33-65(57)73(13-5,14-6)68(60)47-53/h17-48H,9-16H2,1-8H3
InChIKeyFIDDRVDTTIKFIS-UHFFFAOYSA-N
XLogP20.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.40
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
CID 168810437
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823
9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
CID 139815803
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080169
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
CID 177080145

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine (CID 23561815) is 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine?
The InChIKey is FIDDRVDTTIKFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72N2/c1-9-71(10-2)63-31-23-20-28-55(63)58-39-34-50(44-66(58)71)75(49-26-18-17-19-27-49)51-35-42-61-62-43-38-54(48-70(62)74(15-7,16-8)69(61)45-51)76(52-36-40-59-56-29-21-24-32-64(56)72(11-3,12-4)67(59)46-52)53-37-41-60-57-30-22-25-33-65(57)73(13-5,14-6)68(60)47-53/h17-48H,9-16H2,1-8H3.
What are the key properties of 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine?
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine has a molecular weight of 989.40 g/mol, XLogP of 20.97, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine is sourced from PubChem (CID 23561815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).