3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine

C44H34N2 — CID 139380106

IUPAC3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
SMILESCc1cccc(Nc2cc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C44H34N2/c1-31-14-13-21-36(26-31)45-38-27-33(32-15-5-2-6-16-32)28-39(29-38)46-37-24-25-41-40-22-11-12-23-42(40)44(43(41)30-37,34-17-7-3-8-18-34)35-19-9-4-10-20-35/h2-30,45-46H,1H3
InChIKeyIBPAYDIGWLPISL-UHFFFAOYSA-N
MW590.77 g/mol
LogP11.51
Rot. Bonds7

About 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine

3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine (PubChem CID 139380106) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
PubChem CID139380106
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
SMILESCc1cccc(Nc2cc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C44H34N2/c1-31-14-13-21-36(26-31)45-38-27-33(32-15-5-2-6-16-32)28-39(29-38)46-37-24-25-41-40-22-11-12-23-42(40)44(43(41)30-37,34-17-7-3-8-18-34)35-19-9-4-10-20-35/h2-30,45-46H,1H3
InChIKeyIBPAYDIGWLPISL-UHFFFAOYSA-N
XLogP11.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine
CID 142604757
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
CID 129026642
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine (CID 139380106) is 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine is Cc1cccc(Nc2cc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine?
The InChIKey is IBPAYDIGWLPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-31-14-13-21-36(26-31)45-38-27-33(32-15-5-2-6-16-32)28-39(29-38)46-37-24-25-41-40-22-11-12-23-42(40)44(43(41)30-37,34-17-7-3-8-18-34)35-19-9-4-10-20-35/h2-30,45-46H,1H3.
What are the key properties of 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine?
3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine has a molecular weight of 590.77 g/mol, XLogP of 11.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine is sourced from PubChem (CID 139380106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).