N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine

C49H35N — CID 142604757

IUPACN-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2cc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C49H35N/c1-6-17-35(18-7-1)38-31-39(36-19-8-2-9-20-36)33-43(32-38)50-42-29-30-45-47(34-42)49(40-23-12-4-13-24-40,41-25-14-5-15-26-41)46-28-16-27-44(48(45)46)37-21-10-3-11-22-37/h1-34,50H
InChIKeyNOMRVAVUWYIJIM-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.79
Rot. Bonds7

About N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine

N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine (PubChem CID 142604757) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine
PubChem CID142604757
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC NameN-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2cc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C49H35N/c1-6-17-35(18-7-1)38-31-39(36-19-8-2-9-20-36)33-43(32-38)50-42-29-30-45-47(34-42)49(40-23-12-4-13-24-40,41-25-14-5-15-26-41)46-28-16-27-44(48(45)46)37-21-10-3-11-22-37/h1-34,50H
InChIKeyNOMRVAVUWYIJIM-UHFFFAOYSA-N
XLogP12.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 512.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
4-[3-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785729
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
CID 177115865
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine (CID 142604757) is N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine is c1ccc(-c2cc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine?
The InChIKey is NOMRVAVUWYIJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-6-17-35(18-7-1)38-31-39(36-19-8-2-9-20-36)33-43(32-38)50-42-29-30-45-47(34-42)49(40-23-12-4-13-24-40,41-25-14-5-15-26-41)46-28-16-27-44(48(45)46)37-21-10-3-11-22-37/h1-34,50H.
What are the key properties of N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine?
N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine has a molecular weight of 637.83 g/mol, XLogP of 12.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-5,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 142604757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).