2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine

C39H34N4 — CID 71080481

IUPAC2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESCC1(C)c2cc(Nc3ccccc3Nc3ccccc3)ccc2-c2ccc(Nc3ccccc3Nc3ccccc3)cc21
InChIInChI=1S/C39H34N4/c1-39(2)33-25-29(42-37-19-11-9-17-35(37)40-27-13-5-3-6-14-27)21-23-31(33)32-24-22-30(26-34(32)39)43-38-20-12-10-18-36(38)41-28-15-7-4-8-16-28/h3-26,40-43H,1-2H3
InChIKeyRSHAUEHVWRMFRM-UHFFFAOYSA-N
MW558.73 g/mol
LogP10.97
Rot. Bonds8

About 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine

2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine (PubChem CID 71080481) has the molecular formula C39H34N4 and a molecular weight of 558.73 g/mol. Its IUPAC name is 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
PubChem CID71080481
Molecular FormulaC39H34N4
Molecular Weight558.73 g/mol
Exact Mass558.28
IUPAC Name2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
SMILESCC1(C)c2cc(Nc3ccccc3Nc3ccccc3)ccc2-c2ccc(Nc3ccccc3Nc3ccccc3)cc21
InChIInChI=1S/C39H34N4/c1-39(2)33-25-29(42-37-19-11-9-17-35(37)40-27-13-5-3-6-14-27)21-23-31(33)32-24-22-30(26-34(32)39)43-38-20-12-10-18-36(38)41-28-15-7-4-8-16-28/h3-26,40-43H,1-2H3
InChIKeyRSHAUEHVWRMFRM-UHFFFAOYSA-N
XLogP10.97
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 510.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
methyl 2-[[7-(2-methoxycarbonylanilino)-9,9-dimethylfluoren-2-yl]amino]benzoate
CID 58489827
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
9,9-dimethyl-7-(1-methylcyclopropyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 144671031

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine (CID 71080481) is 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine is CC1(C)c2cc(Nc3ccccc3Nc3ccccc3)ccc2-c2ccc(Nc3ccccc3Nc3ccccc3)cc21.
What is the InChIKey of 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is RSHAUEHVWRMFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4/c1-39(2)33-25-29(42-37-19-11-9-17-35(37)40-27-13-5-3-6-14-27)21-23-31(33)32-24-22-30(26-34(32)39)43-38-20-12-10-18-36(38)41-28-15-7-4-8-16-28/h3-26,40-43H,1-2H3.
What are the key properties of 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine?
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 558.73 g/mol, XLogP of 10.97, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 71080481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).