9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine

C49H34F4N2 — CID 59221652

IUPAC9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(F)c(F)c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c(F)c3F)cc21
InChIInChI=1S/C49H34F4N2/c1-49(2)40-22-12-11-21-38(40)39-29-28-36(30-41(39)49)55(34-18-7-4-8-19-34)48-46(52)44(50)43(45(51)47(48)53)32-24-26-35(27-25-32)54(33-16-5-3-6-17-33)42-23-13-15-31-14-9-10-20-37(31)42/h3-30H,1-2H3
InChIKeyVOWHVKKYNAVLKL-UHFFFAOYSA-N
MW726.82 g/mol
LogP14.31
Rot. Bonds7

About 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 59221652) has the molecular formula C49H34F4N2 and a molecular weight of 726.82 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
PubChem CID59221652
Molecular FormulaC49H34F4N2
Molecular Weight726.82 g/mol
Exact Mass726.27
IUPAC Name9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(F)c(F)c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c(F)c3F)cc21
InChIInChI=1S/C49H34F4N2/c1-49(2)40-22-12-11-21-38(40)39-29-28-36(30-41(39)49)55(34-18-7-4-8-19-34)48-46(52)44(50)43(45(51)47(48)53)32-24-26-35(27-25-32)54(33-16-5-3-6-17-33)42-23-13-15-31-14-9-10-20-37(31)42/h3-30H,1-2H3
InChIKeyVOWHVKKYNAVLKL-UHFFFAOYSA-N
XLogP14.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.82
LogP ≤ 514.31
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-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221527
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-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221507
9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221580
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-(3-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293406
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine (CID 59221652) is 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(F)c(F)c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)c(F)c3F)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine?
The InChIKey is VOWHVKKYNAVLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34F4N2/c1-49(2)40-22-12-11-21-38(40)39-29-28-36(30-41(39)49)55(34-18-7-4-8-19-34)48-46(52)44(50)43(45(51)47(48)53)32-24-26-35(27-25-32)54(33-16-5-3-6-17-33)42-23-13-15-31-14-9-10-20-37(31)42/h3-30H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 726.82 g/mol, XLogP of 14.31, 7 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-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 59221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).