4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline

C45H31F4NO2 — CID 58905943

IUPAC4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2c(F)c(F)c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c(F)c2F)cc1
InChIInChI=1S/C45H31F4NO2/c1-51-33-22-18-31(19-23-33)50(32-20-24-34(52-2)25-21-32)44-42(48)40(46)39(41(47)43(44)49)28-17-26-36-35-15-9-10-16-37(35)45(38(36)27-28,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-27H,1-2H3
InChIKeyYCAZDKSEFKFHCV-UHFFFAOYSA-N
MW693.74 g/mol
LogP11.76
Rot. Bonds8

About 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline

4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 58905943) has the molecular formula C45H31F4NO2 and a molecular weight of 693.74 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline
PubChem CID58905943
Molecular FormulaC45H31F4NO2
Molecular Weight693.74 g/mol
Exact Mass693.23
IUPAC Name4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2c(F)c(F)c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c(F)c2F)cc1
InChIInChI=1S/C45H31F4NO2/c1-51-33-22-18-31(19-23-33)50(32-20-24-34(52-2)25-21-32)44-42(48)40(46)39(41(47)43(44)49)28-17-26-36-35-15-9-10-16-37(35)45(38(36)27-28,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-27H,1-2H3
InChIKeyYCAZDKSEFKFHCV-UHFFFAOYSA-N
XLogP11.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.74
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline (CID 58905943) is 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2c(F)c(F)c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c(F)c2F)cc1.
What is the InChIKey of 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is YCAZDKSEFKFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31F4NO2/c1-51-33-22-18-31(19-23-33)50(32-20-24-34(52-2)25-21-32)44-42(48)40(46)39(41(47)43(44)49)28-17-26-36-35-15-9-10-16-37(35)45(38(36)27-28,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-27H,1-2H3.
What are the key properties of 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline?
4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 693.74 g/mol, XLogP of 11.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 58905943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).