9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine

C55H38F4N2 — CID 59221507

IUPAC9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4c(F)c(F)c(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)c(F)c4F)cc3)cc21
InChIInChI=1S/C55H38F4N2/c1-55(2)47-20-12-11-19-45(47)46-32-31-44(34-48(46)55)60(40-17-7-4-8-18-40)41-28-24-38(25-29-41)49-50(56)52(58)54(53(59)51(49)57)61(43-30-23-36-15-9-10-16-39(36)33-43)42-26-21-37(22-27-42)35-13-5-3-6-14-35/h3-34H,1-2H3
InChIKeyLNGUEFXOLAXERV-UHFFFAOYSA-N
MW802.92 g/mol
LogP15.98
Rot. Bonds8

About 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 59221507) has the molecular formula C55H38F4N2 and a molecular weight of 802.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
PubChem CID59221507
Molecular FormulaC55H38F4N2
Molecular Weight802.92 g/mol
Exact Mass802.30
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4c(F)c(F)c(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)c(F)c4F)cc3)cc21
InChIInChI=1S/C55H38F4N2/c1-55(2)47-20-12-11-19-45(47)46-32-31-44(34-48(46)55)60(40-17-7-4-8-18-40)41-28-24-38(25-29-41)49-50(56)52(58)54(53(59)51(49)57)61(43-30-23-36-15-9-10-16-39(36)33-43)42-26-21-37(22-27-42)35-13-5-3-6-14-35/h3-34H,1-2H3
InChIKeyLNGUEFXOLAXERV-UHFFFAOYSA-N
XLogP15.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.92
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221580
9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221549
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221527
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221652
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
12,12,20,20-tetramethyl-N-naphthalen-2-yl-N,2,16-triphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaen-9-amine
CID 89024604
10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine (CID 59221507) is 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4c(F)c(F)c(N(c5ccc(-c6ccccc6)cc5)c5ccc6ccccc6c5)c(F)c4F)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine?
The InChIKey is LNGUEFXOLAXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38F4N2/c1-55(2)47-20-12-11-19-45(47)46-32-31-44(34-48(46)55)60(40-17-7-4-8-18-40)41-28-24-38(25-29-41)49-50(56)52(58)54(53(59)51(49)57)61(43-30-23-36-15-9-10-16-39(36)33-43)42-26-21-37(22-27-42)35-13-5-3-6-14-35/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 802.92 g/mol, XLogP of 15.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 59221507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).