4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine

C44H36N2 — CID 70907150

IUPAC4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)C2=C3CCC=C2)cc1
InChIInChI=1S/C44H36N2/c1-45(35-20-10-4-11-21-35)36-26-28-38(29-27-36)46(37-22-12-5-13-23-37)39-30-31-41-40-24-14-15-25-42(40)44(43(41)32-39,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h2-13,15-23,25-32H,14,24H2,1H3
InChIKeySFLGMUBNHCQAOQ-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.38
Rot. Bonds7

About 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine

4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 70907150) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID70907150
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)C2=C3CCC=C2)cc1
InChIInChI=1S/C44H36N2/c1-45(35-20-10-4-11-21-35)36-26-28-38(29-27-36)46(37-22-12-5-13-23-37)39-30-31-41-40-24-14-15-25-42(40)44(43(41)32-39,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h2-13,15-23,25-32H,14,24H2,1H3
InChIKeySFLGMUBNHCQAOQ-UHFFFAOYSA-N
XLogP11.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine
CID 166686450
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)-5,6-dihydrofluoren-2-yl]-N-[4-(3-phenylphenyl)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-amine
CID 167160907
9-(2,3-difluorophenyl)-N-[9-(2,3-difluorophenyl)-9-(4-ethenylphenyl)-5,6-dihydrofluoren-2-yl]-9-(4-ethenylphenyl)-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 167161016
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine (CID 70907150) is 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine is CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)C2=C3CCC=C2)cc1.
What is the InChIKey of 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is SFLGMUBNHCQAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-45(35-20-10-4-11-21-35)36-26-28-38(29-27-36)46(37-22-12-5-13-23-37)39-30-31-41-40-24-14-15-25-42(40)44(43(41)32-39,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h2-13,15-23,25-32H,14,24H2,1H3.
What are the key properties of 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine?
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 592.79 g/mol, XLogP of 11.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 70907150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).